Journal Information

Journal ID (publisher-id): chemical

Title: Journal of the Korean Chemical Society

Translated Title (ko): 대한화학회지

ISSN (print): 1017-2548

ISSN (electronic): 2234-8530

Publisher: Korean Chemical Society대한화학회

Article Information

Copyright statement: Copyright © 2018, Korean Chemical Society

Copyright: 2018

Date received: 19 March 2018

Date accepted: 20 June 2018

Publication date (print): 20 August 2018

Volume: 62

Issue: 4

Pages: s328-s340

Publisher ID: jkcs-62-s328

DOI: 10.5012/jkcs.2018.62.4.328

Photo-Control of Adsorption of Dye Metal Complexes Incorporating Chiral Schiff Base Ligands Containing Azo-Groups on TiO2

Shinnosuke Tanaka[†]

Hiroki Sato[†]

Yota Ishida[†]

Yanyang Deng[†]

Tomoyuki Haraguchi[†]

Takashiro Akitsu[†][*]

Mutsumi Sugiyama[‡]

Michikazu Hara[§]

Dohyun Moon[#][*]

[†] Department of Chemistry, Faculty of Science, Tokyo University of Science, Tokyo, Japan.

[‡] Department of Electrical Engineering, Faculty of Science and Technology, Tokyo University of Science, Chiba, Japan

[§] Materials and Structures Laboratory, Tokyo Institute of Technology, Kanagawa, Japan

[#] Beamline Department, Pohang Accelerator Laboratory, Korea

Author notes:

Correspondence to: [*] E-mail: akitsu@rs.kagu.tus.ac.jp

Expand AllCollapse All
FigureS1.

Rietveld refinement profiles for Fe-L.2H2O (above) and Cu-L.2H2O (below) during analyzing their structures.

jkcs-62-s328-f001.tif
FigureS2.

Crystal packing (alignment of molecules) for Fe-L.2H2O (above) and Cu-L.2H2O (below) along the c axis.

jkcs-62-s328-f002.tif

ENTER FIGURE CAPTIONS

(Indexing#1)

Crystal data

C10.51Fe0.26H8.51N1.50O2 V = 1786 (7) Å3
Mr = 201.65 Z = 4
Triclinic, P1 F(000) = 418.00
a = 10.93 (2) Å Dx = 0.75 Mg m-3
b = 14.66 (2) Å Synchrotron radiation, λ = 1 Å
c = 11.71 (3) Å T = 298 K
α = 94.18 (14)° brownish-brown
β = 107.1 (2)°
γ = 86.35 (18)°

Data collection

ENTER THE MEASUREMENT DEVICE NAME diffractometer 2θmin = 2.79°, 2θmax = 54.97°, 2θstep = 0.01°

Refinement

Refinement on F2 3811 data points
Least-squares matrix: full 31 parameters
Rp = 0.035 0 restraints
Rwp = 0.050 0 constraints
Rexp = 0.013 Weighting scheme based on measured s.u.'s
χ2 = 14.860 (Δ/σ)max = 0.014

Special details

Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
Fe1 0.026615 0.105602 0.730398 0*
O1 0.117777 0.199457 0.875811 0*
O2 0.678220 -0.338595 0.900651 0*
O3 -0.155857 0.150604 0.660623 0*
O4 0.691630 -0.325522 0.702064 0*
O5 0.001763 0.077626 0.924222 0*
O6 -0.020369 -0.369642 0.059206 0*
O7 0.017094 -0.460076 0.215643 0*
O8 0.010957 0.195166 0.570125 0*
N1 -0.025848 -0.017554 0.607227 0*
N2 -0.586748 -0.006913 0.328991 0*
N3 0.205420 0.036629 0.748897 0*
N4 -0.690507 0.040153 0.307487 0*
N5 0.619272 0.249596 1.148983 0*
N6 0.646479 0.318940 1.233913 0*
C1 0.312076 0.066358 0.822026 0*
C2 -0.375455 0.162959 0.554176 0*
C3 -0.484449 0.126666 0.472856 0*
C4 -0.481313 0.036746 0.413202 0*
C5 -0.365999 -0.013516 0.438572 0*
C6 0.458551 0.164917 0.989658 0*
C7 0.491059 0.240577 1.083637 0*
C8 0.271698 0.286971 1.036690 0*
C9 0.394606 0.302106 1.106481 0*
C10 0.080296 -0.087536 0.624681 0*
C11 0.198598 -0.044424 0.649151 0*
C12 0.314583 -0.111469 0.687511 0*
C13 0.359150 -0.148091 0.811177 0*
C14 0.463764 -0.210526 0.844531 0*
C15 0.526468 -0.237647 0.754917 0*
C16 0.483308 -0.201163 0.631902 0*
C17 0.378331 -0.138535 0.599180 0*
C18 0.058758 -0.164118 0.508075 0*
C19 0.028765 -0.149658 0.372334 0*
C20 0.069750 -0.250709 0.534481 0*
C21 0.011469 -0.220007 0.266633 0*
C22 0.023521 -0.306565 0.294309 0*
C23 0.052591 -0.321622 0.428998 0*
C24 0.004275 -0.379381 0.177471 0*
C25 -0.796312 -0.004321 0.222452 0*
C26 -0.791731 -0.093387 0.163377 0*
C27 -0.902097 -0.129925 0.081428 0*
C28 -1.017758 -0.078661 0.057324 0*
C29 -1.022541 0.009789 0.115848 0*
C30 -0.912199 0.046809 0.198090 0*
C31 0.637722 -0.304745 0.795523 0*
C32 0.870531 0.265707 1.276284 0*
C33 0.994681 0.281283 1.346820 0*
C34 1.026130 0.358076 1.440697 0*
C35 0.932329 0.419533 1.463826 0*
C36 0.807674 0.404280 1.393434 0*
C37 -0.139035 -0.037354 0.539517 0*
C38 -0.252611 0.021700 0.521034 0*
C39 -0.255868 0.112721 0.581947 0*
C40 0.235858 0.209858 0.939531 0*
C41 0.333598 0.147291 0.916771 0*
C42 0.775890 0.327513 1.299397 0*
H1 1.067813 0.233478 1.328963 0*
H2 1.123404 0.369711 1.495383 0*
H3 -0.701402 -0.132039 0.183130 0*
H4 0.844452 0.206656 1.203297 0*
H5 0.098931 -0.113515 0.720151 0*
H6 -0.898537 -0.198763 0.035737 0*
H7 -1.103559 -0.107756 -0.006881 0*
H8 0.396813 0.028043 0.814015 0*
H9 0.092704 -0.262909 0.638893 0*
H10 -0.086411 0.099661 0.895642 0*
H11 0.044724 0.129786 0.972801 0*
H12 -0.011646 -0.209372 0.161607 0*
H13 -0.076417 0.210523 0.558346 0*
H14 0.312322 -0.126866 0.882323 0*
H15 -0.365030 -0.082283 0.392099 0*
H16 0.345094 -0.110694 0.503280 0*
H17 0.533439 0.118328 0.973289 0*
H18 0.197105 0.333766 1.053102 0*
H19 0.053260 0.242878 0.636725 0*
H20 -0.153967 -0.105193 0.489698 0*
H21 -0.376806 0.231657 0.600671 0*
H22 -0.913074 0.115396 0.244907 0*
H23 0.061619 -0.388403 0.450818 0*
H24 0.420480 0.361055 1.179908 0*
H25 0.732788 0.450888 1.409376 0*
H26 -0.574684 0.165589 0.452754 0*
H27 0.498690 -0.239121 0.939771 0*
H28 0.002636 -0.502008 0.131706 0*
H29 0.017658 -0.082799 0.349176 0*
H30 0.531714 -0.221722 0.562495 0*
H31 -1.111993 0.049830 0.097450 0*
H32 0.956227 0.479179 1.536538 0*
H33 0.183020 -0.023096 0.551147 0*
H34 0.762579 -0.369495 0.739196 0*

Geometric parameters (Å, º)

Fe1—O1 2.149 (5) C18—C19 1.553 (5)
Fe1—O3 2.008 (5) C12—C13 1.512 (4)
Fe1—O8 2.327 (5) C12—C17 1.429 (3)
Fe1—N1 2.221 (5) C13—C14 1.398 (3)
Fe1—N3 2.103 (5) C14—C15 1.434 (3)
O1—C40 1.299 (4) C15—C16 1.504 (4)
O2—C31 1.302 (4) C15—C31 1.499 (4)
O3—C39 1.327 (4) C16—C17 1.402 (3)
O4—C31 1.395 (3) C18—C20 1.318 (2)
O6—C24 1.347 (4) C19—C21 1.527 (3)
O7—C24 1.280 (2) C20—C23 1.530 (3)
N5—N6 1.352 (3) C21—C22 1.321 (2)
N2—N4 1.258 (3) C22—C23 1.543 (4)
N3—C1 1.305 (4) C22—C24 1.643 (4)
N3—C11 1.593 (3) C25—C26 1.437 (3)
N4—C25 1.441 (4) O4—H34 0.992 (2)
N5—C7 1.394 (4) O5—H10 0.965 (2)
N6—C42 1.405 (4) O5—H11 0.976 (2)
N1—C10 1.476 (3) O7—H28 1.096 (3)
N1—C37 1.295 (4) O8—H13 0.939 (2)
N2—C4 1.429 (4) O8—H19 1.029 (3)
C25—C30 1.395 (3) C1—H8 1.077 (2)
C26—C27 1.410 (4) C2—H21 1.111 (2)
C27—C28 1.394 (3) C3—H26 1.079 (3)
C28—C29 1.427 (3) C5—H15 1.111 (2)
C29—C30 1.414 (4) C6—H17 1.084 (2)
C32—C33 1.388 (4) C8—H18 1.084 (2)
C1—C41 1.544 (3) C9—H24 1.160 (3)
C32—C42 1.405 (3) C10—H5 1.163 (3)
C2—C3 1.395 (4) C17—H16 1.169 (3)
C2—C39 1.421 (3) C28—H7 1.102 (3)
C40—C41 1.436 (3) C21—H12 1.200 (3)
C3—C4 1.449 (3) C29—H31 1.081 (3)
C33—C34 1.496 (3) C30—H22 1.110 (2)
C4—C5 1.383 (3) C11—H33 1.172 (3)
C5—C38 1.428 (4) C14—H27 1.167 (3)
C34—C35 1.395 (3) C23—H23 1.0210 (17)
C6—C7 1.486 (3) C13—H14 1.116 (3)
C6—C41 1.409 (4) C33—H1 1.086 (2)
C35—C36 1.391 (4) C19—H29 1.0261 (18)
C7—C9 1.417 (3) C34—H2 1.084 (3)
C8—C9 1.373 (4) C16—H30 1.108 (3)
C8—C40 1.527 (3) C35—H32 1.160 (3)
C36—C42 1.497 (3) C26—H3 1.078 (3)
C37—C38 1.439 (3) C36—H25 1.083 (2)
C10—C11 1.419 (3) C20—H9 1.198 (3)
C10—C18 1.673 (4) C37—H20 1.112 (2)
C38—C39 1.470 (3) C27—H6 1.111 (2)
C11—C12 1.531 (4) C32—H4 1.158 (3)
Fe1—O1—C40 133.70 (16) C32—C42—C36 122.06 (17)
Fe1—O3—C39 132.43 (14) C12—C17—C16 117.06 (17)
Fe1—N3—C1 122.92 (16) C10—C18—C19 130.22 (14)
Fe1—N1—C10 112.27 (19) C10—C18—C20 115.63 (16)
Fe1—N1—C37 127.08 (17) C19—C18—C20 114.15 (14)
Fe1—N3—C11 112.3 (2) C18—C19—C21 129.89 (14)
O1—Fe1—O8 99.5 (2) C18—C20—C23 116.26 (16)
O3—Fe1—O8 70.11 (19) C19—C21—C22 115.40 (16)
O1—Fe1—O3 108.4 (2) C21—C22—C23 115.09 (14)
O1—Fe1—N1 164.34 (5) C21—C22—C24 113.43 (17)
O1—Fe1—N3 88.8 (2) C23—C22—C24 131.48 (14)
O3—Fe1—N3 161.57 (7) C26—C25—C30 119.28 (18)
O8—Fe1—N1 91.04 (19) C25—C26—C27 121.23 (17)
O8—Fe1—N3 101.32 (19) C26—C27—C28 119.34 (16)
O3—Fe1—N1 86.0 (2) C27—C28—C29 119.54 (18)
O6—C24—O7 118.98 (13) C28—C29—C30 121.39 (17)
O2—C31—O4 125.10 (17) Fe1—O8—H13 93.8 (2)
O4—C31—C15 108.91 (18) Fe1—O8—H19 83.4 (2)
O7—C24—C22 107.41 (18) N1—C37—H20 119.71 (18)
O1—C40—C41 118.69 (17) N1—C10—H5 107.22 (18)
O1—C40—C8 121.29 (18) N3—C1—H8 114.17 (17)
O3—C39—C2 118.21 (17) N3—C11—H33 116.59 (16)
O3—C39—C38 124.75 (16) C31—O4—H34 101.32 (19)
O2—C31—C15 125.99 (16) C24—O7—H28 101.06 (18)
O6—C24—C22 133.60 (13) C41—C1—H8 116.19 (18)
N1—Fe1—N3 77.7 (2) C3—C2—H21 122.56 (17)
N6—N5—C7 117.18 (19) C39—C2—H21 116.43 (19)
N5—N6—C42 116.81 (19) C2—C3—H26 120.17 (16)
N4—N2—C4 114.03 (17) C4—C3—H26 117.89 (19)
N2—N4—C25 113.69 (17) C4—C5—H15 117.39 (19)
N1—C10—C11 109.79 (16) C38—C5—H15 121.31 (17)
N1—C10—C18 112.1 (2) C25—C26—H3 118.38 (18)
N1—C37—C38 125.72 (15) C27—C26—H3 120.39 (16)
N4—C25—C30 114.39 (17) C23—C20—H9 128.85 (14)
N5—C7—C9 120.69 (16) C26—C27—H6 121.22 (17)
N2—C4—C3 126.54 (16) C28—C27—H6 119.44 (18)
N2—C4—C5 115.26 (17) C16—C17—H16 120.69 (17)
N5—C7—C6 118.26 (19) C27—C28—H7 118.85 (16)
N3—C11—C10 109.44 (18) C29—C28—H7 121.62 (17)
N3—C11—C12 110.6 (2) C19—C21—H12 130.27 (14)
N3—C1—C41 129.64 (16) C22—C21—H12 114.34 (14)
N4—C25—C26 126.33 (16) C30—C29—H31 118.78 (16)
N6—C42—C36 117.46 (19) C17—C16—H30 116.33 (18)
N6—C42—C32 120.48 (16) C25—C30—H22 117.82 (18)
C1—N3—C11 124.00 (17) C29—C30—H22 122.96 (17)
C10—N1—C37 119.79 (16) C10—C11—H33 95.7 (2)
C35—C36—C42 122.60 (18) C11—C10—H5 95.8 (2)
C25—C30—C29 119.22 (16) C18—C19—H29 115.70 (14)
C33—C32—C42 115.06 (17) C33—C32—H4 123.68 (18)
C32—C33—C34 122.75 (18) C42—C32—H4 121.26 (17)
C33—C34—C35 122.30 (17) C21—C19—H29 114.41 (17)
C34—C35—C36 115.23 (17) C32—C33—H1 115.04 (17)
C5—C38—C37 115.80 (17) C34—C33—H1 122.21 (17)
C5—C38—C39 120.53 (17) C15—C16—H30 122.59 (17)
C3—C2—C39 121.01 (16) C33—C34—H2 122.23 (18)
C37—C38—C39 123.67 (17) C35—C34—H2 115.47 (17)
C2—C39—C38 117.04 (19) C20—C23—H23 115.40 (17)
C2—C3—C4 121.93 (17) C34—C35—H32 122.56 (17)
C8—C40—C41 120.02 (17) C36—C35—H32 122.21 (18)
C1—C41—C6 119.78 (18) C18—C10—H5 118.93 (17)
C3—C4—C5 118.20 (18) C35—C36—H25 116.91 (17)
C4—C5—C38 121.29 (16) C42—C36—H25 120.49 (17)
C1—C41—C40 125.88 (16) C38—C37—H20 114.58 (18)
C6—C41—C40 114.33 (17) C22—C23—H23 115.39 (14)
C7—C6—C41 124.65 (18) C15—C14—H27 121.57 (18)
C6—C7—C9 121.05 (17) C13—C14—H27 122.21 (17)
C9—C8—C40 124.18 (18) C8—C9—H24 123.45 (18)
C7—C9—C8 115.78 (17) C7—C9—H24 120.78 (17)
C11—C10—C18 111.76 (19) C14—C13—H14 115.34 (18)
C20—C23—C22 129.21 (14) C40—C8—H18 119.37 (17)
C10—C11—C12 112.72 (16) C9—C8—H18 116.46 (17)
C11—C12—C13 122.30 (17) C12—C13—H14 122.84 (17)
C11—C12—C17 116.22 (18) C12—C11—H33 111.01 (18)
C13—C12—C17 121.48 (18) C12—C17—H16 122.24 (17)
C12—C13—C14 121.81 (17) C18—C20—H9 114.89 (14)
C13—C14—C15 116.22 (18) C41—C6—H17 115.17 (17)
C14—C15—C16 122.35 (17) C7—C6—H17 120.18 (17)
C14—C15—C31 113.90 (18) C28—C29—H31 119.83 (18)
C16—C15—C31 123.75 (16) H13—O8—H19 101.6 (2)
C15—C16—C17 121.08 (17) H10—O5—H11 103.5 (2)

ENTER FIGURE CAPTIONS

(Indexing#1)

Crystal data

C42CuH34N6O8 V = 1881 (7) Å3
Mr = 814.30 Z = 1
Triclinic, P1 F(000) = 421.00
a = 13.18 (2) Å Dx = 0.72 Mg m-3
b = 13.21 (3) Å Synchrotron radiation, λ = 1.2 Å
c = 12.18 (2) Å T = 298 K
α = 103.12 (11)° brownish-green
β = 114.10 (6)°
γ = 81.04 (9)°

Data collection

ENTER THE MEASUREMENT DEVICE NAME diffractometer 2θmin = 2.95°, 2θmax = 54.97°, 2θstep = 0.01°

Refinement

Refinement on F2 3799 data points
Least-squares matrix: full 32 parameters
Rp = 0.006 0 restraints
Rwp = 0.010 0 constraints
Rexp = 0.008 Weighting scheme based on measured s.u.'s
χ2 = 1.860 (Δ/σ)max = 0.019

Special details

Geometry. ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq
Cu1 0.187224 0.110257 0.250863 0*
O1 0.236501 0.245419 0.359127 0*
O2 0.312417 0.000475 0.312432 0*
O3 0.161298 0.060781 0.410173 0*
O4 -0.436138 0.386756 -0.349486 0*
O5 -0.337752 -0.275541 -0.430993 0*
O6 -0.540334 0.313834 -0.286424 0*
O7 0.290543 0.170986 0.166877 0*
O8 -0.344738 -0.334321 -0.273314 0*
N1 0.105645 -0.004224 0.100191 0*
N2 0.027387 0.189618 0.166549 0*
N3 0.017197 0.631875 0.415969 0*
N4 0.396823 -0.405596 0.124250 0*
N5 0.487525 -0.454137 0.185414 0*
N6 0.072772 0.701696 0.497180 0*
C1 -0.002487 0.283671 0.202097 0*
C2 0.281103 -0.248299 0.111376 0*
C3 0.380179 -0.303459 0.176804 0*
C4 0.455968 -0.253847 0.289617 0*
C5 0.431613 -0.153242 0.332797 0*
C6 0.018210 0.457887 0.317203 0*
C7 0.077362 0.536067 0.405783 0*
C8 0.191866 0.514135 0.478204 0*
C9 0.242808 0.417399 0.460901 0*
C10 0.000054 0.037179 0.007981 0*
C11 -0.056809 0.120604 0.074036 0*
C12 -0.157913 0.176701 -0.017723 0*
C13 -0.146979 0.240951 -0.092068 0*
C14 -0.239745 0.290456 -0.177311 0*
C15 -0.345741 0.276984 -0.189952 0*
C16 -0.357482 0.213688 -0.115814 0*
C17 -0.264029 0.164321 -0.030470 0*
C18 -0.079313 -0.045172 -0.075927 0*
C19 -0.118094 -0.113474 -0.028686 0*
C20 -0.116013 -0.053569 -0.202186 0*
C21 -0.192179 -0.187252 -0.105843 0*
C22 -0.229028 -0.194563 -0.232238 0*
C23 -0.190363 -0.127350 -0.280171 0*
C24 -0.308442 -0.274745 -0.310598 0*
C25 0.503642 -0.557046 0.131864 0*
C26 0.427457 -0.605427 0.020255 0*
C27 0.452421 -0.707070 -0.023257 0*
C28 0.552882 -0.761584 0.043267 0*
C29 0.628646 -0.713717 0.154113 0*
C30 0.604081 -0.611823 0.198236 0*
C31 -0.442138 0.331588 -0.282714 0*
C32 -0.101845 0.818855 0.433901 0*
C33 -0.153144 0.916669 0.451774 0*
C34 -0.092693 0.994593 0.541870 0*
C35 0.019904 0.974119 0.614372 0*
C36 0.071815 0.876201 0.596874 0*
C37 0.183885 0.335752 0.370671 0*
C38 0.067945 0.358077 0.296894 0*
C39 0.330511 -0.094876 0.267271 0*
C40 0.253464 -0.145276 0.153200 0*
C41 0.148000 -0.096459 0.076785 0*
C42 0.011550 0.798046 0.506820 0*
H1 0.393508 -0.744467 -0.109508 0*
H2 -0.240787 0.932737 0.395364 0*
H3 0.571707 -0.841012 0.008580 0*
H4 -0.133453 1.070822 0.555202 0*
H5 -0.084190 0.077565 0.123981 0*
H6 0.021591 0.079368 -0.047652 0*
H7 0.101546 -0.144776 -0.008870 0*
H8 -0.089417 0.312585 0.157917 0*
H9 0.307507 0.228587 0.233391 0*
H10 0.223799 -0.287332 0.025155 0*
H11 0.330349 0.399681 0.516078 0*
H12 -0.065221 0.253071 -0.082189 0*
H13 -0.273782 0.115012 0.026521 0*
H14 0.185724 0.124340 0.466441 0*
H15 0.229190 0.015521 0.426232 0*
H16 0.067157 1.034286 0.684345 0*
H17 0.706656 -0.755661 0.206061 0*
H18 0.489185 -0.114416 0.418879 0*
H19 0.353772 0.120183 0.195910 0*
H20 -0.389327 -0.330454 -0.472783 0*
H21 -0.147292 0.757627 0.364621 0*
H22 -0.086612 -0.001404 -0.240046 0*
H23 0.661400 -0.572650 0.284136 0*
H24 -0.069433 0.475835 0.262335 0*
H25 0.237642 0.575414 0.547226 0*
H26 -0.231972 0.340133 -0.235060 0*
H27 -0.218351 -0.132931 -0.377812 0*
H28 0.350134 -0.562061 -0.029960 0*
H29 0.533175 -0.297233 0.340297 0*
H30 -0.089163 -0.109498 0.069167 0*
H31 -0.439242 0.203303 -0.124993 0*
H32 -0.222521 -0.240213 -0.070061 0*
H33 0.159250 0.858080 0.651863 0*
H34 -0.505778 0.418924 -0.407529 0*

Geometric parameters (Å, º)

Cu1—O1 1.985 (4) C18—C20 1.394 (2)
Cu1—O2 2.031 (4) C19—C21 1.385 (3)
Cu1—O3 2.345 (3) C20—C23 1.389 (3)
Cu1—O7 2.323 (3) C21—C22 1.398 (2)
Cu1—N1 2.109 (4) C22—C23 1.417 (2)
Cu1—N2 2.151 (3) C22—C24 1.483 (3)
O1—C37 1.292 (3) C25—C26 1.399 (2)
O2—C39 1.282 (3) C25—C30 1.422 (2)
O4—C31 1.240 (2) C26—C27 1.369 (3)
O5—C24 1.354 (2) C27—C28 1.421 (2)
O6—C31 1.332 (2) C28—C29 1.389 (2)
O8—C24 1.2294 (18) C29—C30 1.372 (3)
N3—N6 1.253 (2) C32—C42 1.413 (2)
N4—N5 1.283 (2) C33—C34 1.388 (3)
N3—C7 1.393 (3) C34—C35 1.403 (2)
N4—C3 1.381 (3) O3—H15 0.9694 (16)
N5—C25 1.392 (3) O4—H34 1.0040 (15)
N6—C42 1.405 (3) O5—H20 0.9750 (18)
N1—C10 1.504 (2) O7—H9 0.9543 (19)
N1—C41 1.280 (3) O7—H19 0.9811 (17)
N2—C1 1.276 (3) O3—H14 0.960 (2)
N2—C11 1.470 (3) C6—H24 1.0925 (18)
C9—C37 1.414 (3) C23—H27 1.0804 (19)
C35—C36 1.380 (3) C14—H26 1.1070 (17)
C36—C42 1.389 (3) C8—H25 1.075 (2)
C37—C38 1.445 (2) C9—H11 1.0917 (18)
C39—C40 1.430 (2) C26—H28 1.0996 (17)
C40—C41 1.467 (2) C10—H6 1.1084 (15)
C1—C38 1.433 (3) C27—H1 1.0811 (17)
C8—C9 1.361 (3) C16—H31 1.0645 (19)
C2—C3 1.410 (2) C28—H3 1.070 (2)
C2—C40 1.388 (3) C17—H13 1.1078 (17)
C10—C11 1.502 (2) C29—H17 1.1022 (17)
C3—C4 1.411 (2) C30—H23 1.0789 (17)
C4—C5 1.354 (3) C5—H18 1.0798 (17)
C32—C33 1.376 (3) C11—H5 1.1064 (15)
C5—C39 1.448 (2) C32—H21 1.074 (2)
C11—C12 1.558 (2) C1—H8 1.0962 (18)
C6—C7 1.377 (3) C33—H2 1.0924 (18)
C6—C38 1.394 (3) C19—H30 1.0845 (19)
C10—C18 1.516 (3) C34—H4 1.076 (2)
C7—C8 1.426 (2) C2—H10 1.0804 (18)
C12—C13 1.434 (2) C35—H16 1.077 (2)
C12—C17 1.375 (2) C20—H22 1.1005 (16)
C13—C14 1.422 (2) C36—H33 1.0911 (18)
C14—C15 1.377 (2) C4—H29 1.1004 (17)
C15—C16 1.427 (2) C21—H32 1.0988 (16)
C15—C31 1.524 (2) C13—H12 1.0679 (19)
C16—C17 1.427 (2) C41—H7 1.0811 (19)
C18—C19 1.423 (2)
Cu1—O1—C37 131.95 (12) C14—C15—C31 117.03 (11)
Cu1—O2—C39 132.51 (10) C16—C15—C31 124.89 (12)
Cu1—N2—C11 113.87 (15) C15—C16—C17 122.42 (12)
Cu1—N2—C1 125.88 (10) C12—C17—C16 119.96 (11)
Cu1—N1—C10 113.68 (14) C10—C18—C19 121.46 (13)
Cu1—N1—C41 124.43 (13) C10—C18—C20 119.30 (9)
O1—Cu1—O2 106.90 (15) C19—C18—C20 119.24 (11)
O1—Cu1—O3 88.90 (14) C18—C19—C21 121.16 (13)
O1—Cu1—O7 75.71 (13) C18—C20—C23 119.94 (9)
O2—Cu1—O3 74.21 (11) C19—C21—C22 119.15 (9)
O2—Cu1—O7 89.83 (15) C21—C22—C23 120.11 (11)
O3—Cu1—O7 153.73 (4) C21—C22—C24 116.92 (9)
O1—Cu1—N1 163.24 (4) C23—C22—C24 122.97 (13)
O1—Cu1—N2 87.62 (14) C20—C23—C22 120.40 (13)
O2—Cu1—N1 88.47 (15) C26—C25—C30 121.01 (13)
O2—Cu1—N2 164.07 (3) C25—C26—C27 118.03 (12)
O3—Cu1—N1 102.00 (14) C26—C27—C28 120.82 (12)
O3—Cu1—N2 100.14 (12) Cu1—O3—H14 94.26 (15)
O7—Cu1—N1 98.20 (14) Cu1—O3—H15 90.40 (11)
O7—Cu1—N2 100.34 (14) Cu1—O7—H9 88.62 (14)
O4—C31—O6 120.98 (6) Cu1—O7—H19 93.21 (15)
O5—C24—O8 122.78 (10) N1—C10—H6 109.11 (13)
O6—C31—C15 111.80 (12) N2—C1—H8 118.97 (10)
O4—C31—C15 127.22 (11) N2—C11—H5 106.88 (14)
O5—C24—C22 111.91 (10) N1—C41—H7 117.12 (13)
O2—C39—C5 119.44 (12) C24—O5—H20 104.55 (10)
O8—C24—C22 125.31 (12) C31—O4—H34 120.22 (12)
O2—C39—C40 121.65 (12) C3—C2—H10 119.13 (13)
O1—C37—C38 123.72 (11) C40—C2—H10 118.15 (12)
O1—C37—C9 118.25 (14) C3—C4—H29 119.67 (13)
N1—Cu1—N2 78.03 (14) C5—C4—H29 121.54 (11)
N4—N5—C25 114.95 (12) C4—C5—H18 119.41 (12)
N3—N6—C42 113.73 (15) C39—C5—H18 118.29 (13)
N6—N3—C7 114.08 (15) C7—C6—H24 118.33 (12)
N5—N4—C3 115.31 (12) C25—C26—H28 120.16 (13)
N6—C42—C36 114.46 (15) C27—C26—H28 121.81 (11)
N3—C7—C8 125.60 (11) C23—C20—H22 120.00 (13)
N2—C1—C38 125.96 (13) C26—C27—H1 118.02 (12)
N1—C41—C40 127.46 (11) C28—C27—H1 121.15 (13)
N5—C25—C30 115.66 (12) C15—C16—H31 118.35 (7)
N1—C10—C11 108.93 (14) C27—C28—H3 120.32 (12)
N1—C10—C18 114.48 (15) C29—C28—H3 118.43 (12)
N4—C3—C2 116.45 (12) C19—C21—H32 121.58 (13)
N4—C3—C4 123.59 (12) C22—C21—H32 119.27 (11)
N6—C42—C32 125.35 (11) C30—C29—H17 120.27 (12)
N5—C25—C26 123.33 (12) C12—C17—H13 118.00 (7)
N2—C11—C10 108.37 (15) C25—C30—H23 119.49 (13)
N2—C11—C12 114.88 (15) C29—C30—H23 119.82 (12)
N3—C7—C6 115.27 (15) C10—C11—H5 103.75 (16)
C10—N1—C41 121.03 (12) C18—C10—H6 109.39 (14)
C1—N2—C11 119.37 (14) C16—C17—H13 122.04 (12)
C27—C28—C29 121.25 (13) C33—C32—H21 120.55 (14)
C28—C29—C30 118.20 (12) C42—C32—H21 119.30 (12)
C35—C36—C42 119.39 (14) C18—C19—H30 120.47 (11)
C14—C15—C16 118.08 (7) C32—C33—H2 120.14 (11)
C25—C30—C29 120.68 (12) C34—C33—H2 120.35 (12)
C33—C32—C42 120.16 (11) C21—C19—H30 118.37 (10)
C32—C33—C34 119.52 (14) C33—C34—H4 119.02 (14)
C33—C34—C35 120.43 (12) C35—C34—H4 120.55 (11)
C34—C35—C36 120.33 (11) C20—C23—H27 119.23 (9)
C9—C37—C38 118.04 (12) C34—C35—H16 120.72 (12)
C3—C2—C40 122.71 (11) C36—C35—H16 118.96 (14)
C1—C38—C6 116.04 (14) C35—C36—H33 121.90 (11)
C1—C38—C37 124.51 (11) C42—C36—H33 118.71 (12)
C2—C3—C4 119.96 (13) C11—C10—H6 103.68 (16)
C3—C4—C5 118.79 (12) C22—C23—H27 120.38 (11)
C6—C38—C37 119.44 (11) C15—C14—H26 117.23 (7)
C5—C39—C40 118.91 (13) C13—C14—H26 123.59 (12)
C4—C5—C39 122.30 (11) C14—C13—H12 118.36 (11)
C2—C40—C39 117.32 (13) C37—C9—H11 117.42 (12)
C2—C40—C41 117.56 (12) C8—C9—H11 121.50 (11)
C7—C6—C38 121.42 (14) C12—C13—H12 118.45 (7)
C39—C40—C41 125.12 (12) C12—C11—H5 111.25 (14)
C6—C7—C8 119.12 (12) C17—C16—H31 119.22 (11)
C7—C8—C9 120.90 (11) C18—C20—H22 120.05 (11)
C8—C9—C37 121.08 (14) C9—C8—H25 120.27 (14)
C11—C10—C18 110.68 (15) C38—C1—H8 115.07 (13)
C10—C11—C12 111.04 (14) C40—C41—H7 115.42 (13)
C11—C12—C13 123.44 (12) C7—C8—H25 118.83 (12)
C11—C12—C17 119.38 (11) C38—C6—H24 120.25 (11)
C13—C12—C17 117.18 (7) C28—C29—H17 121.52 (13)
C12—C13—C14 123.18 (12) H9—O7—H19 102.82 (14)
C13—C14—C15 119.17 (11) H14—O3—H15 103.24 (14)
C32—C42—C36 120.19 (12)