#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015125.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7015125
loop_
_publ_author_name
'Zhang, Wen'
'Sun, Hao-Ling'
'Sato, Osamu'
_publ_section_title
;
 Synthesis, characterization, and photoresponsive properties of a
 series of Mo(IV)-Cu(II) complexes.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2735
_journal_page_last               2743
_journal_paper_doi               10.1039/c0dt01213k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C17 H37 Cu2 Mo N14 O3.5'
_chemical_formula_weight         716.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.71(3)
_cell_angle_beta                 80.79(3)
_cell_angle_gamma                75.28(3)
_cell_formula_units_Z            2
_cell_length_a                   8.8590(18)
_cell_length_b                   10.339(2)
_cell_length_c                   17.049(3)
_cell_measurement_reflns_used    4446
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1436.0(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11685
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    1.945
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             730
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.638
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         6307
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0328P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0934
_reflns_number_gt                4661
_reflns_number_total             6307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01213k.txt
_cod_data_source_block           6_ccdc_773794
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1436.0(5)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C17 H37 Cu2 Mo N14 O3.50'
_cod_database_code               7015125
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.68053(4) 0.61471(3) 0.181348(19) 0.00609(9) Uani 1 1 d . . .
Cu1 Cu 0.25733(5) 0.34216(4) 0.14053(3) 0.00768(11) Uani 1 1 d . . .
Cu2 Cu 1.0000 1.0000 0.0000 0.01056(15) Uani 1 2 d S . .
Cu3 Cu 0.5000 0.5000 0.5000 0.0275(2) Uani 1 2 d S . .
N1 N 0.9240(4) 0.9150(3) -0.0759(2) 0.0118(7) Uani 1 1 d . . .
H1A H 0.8631 0.8575 -0.0448 0.014 Uiso 1 1 calc R . .
H1B H 0.8630 0.9839 -0.1109 0.014 Uiso 1 1 calc R . .
N2 N 1.1495(4) 0.8134(3) 0.04331(19) 0.0118(7) Uani 1 1 d . . .
H2A H 1.2140 0.8254 0.0751 0.014 Uiso 1 1 calc R . .
H2B H 1.0926 0.7535 0.0758 0.014 Uiso 1 1 calc R . .
N3 N 0.7210(4) 0.6455(3) -0.01960(19) 0.0124(7) Uani 1 1 d . . .
N4 N 1.0532(4) 0.4843(3) 0.1321(2) 0.0138(7) Uani 1 1 d . . .
N5 N 0.8090(4) 0.9049(3) 0.1071(2) 0.0187(8) Uani 1 1 d . . .
N6 N 0.2000(4) 0.2976(3) 0.26498(19) 0.0152(7) Uani 1 1 d . . .
H6A H 0.1437 0.3759 0.2772 0.018 Uiso 1 1 calc R . .
H6B H 0.1375 0.2364 0.2785 0.018 Uiso 1 1 calc R . .
N7 N 0.4102(4) 0.1562(3) 0.1551(2) 0.0159(7) Uani 1 1 d . . .
H7C H 0.3546 0.0902 0.1657 0.019 Uiso 1 1 calc R . .
H7D H 0.4681 0.1556 0.1067 0.019 Uiso 1 1 calc R . .
N8 N 0.4220(4) 0.4628(3) 0.14419(19) 0.0111(7) Uani 1 1 d . . .
N11 N 0.7723(4) 0.2873(3) 0.2924(2) 0.0208(8) Uani 1 1 d . . .
N12 N 0.8708(6) 0.6389(5) 0.3264(2) 0.0439(12) Uani 1 1 d . . .
N13 N 0.4347(5) 0.5926(5) 0.3505(3) 0.0386(11) Uani 1 1 d . . .
N14 N 0.3754(5) 0.8749(4) 0.1422(3) 0.0378(11) Uani 1 1 d . . .
C1 C 1.0447(5) 0.8370(4) -0.1253(2) 0.0136(8) Uani 1 1 d . . .
H1C H 1.1100 0.8979 -0.1605 0.016 Uiso 1 1 calc R . .
H1D H 0.9940 0.8057 -0.1605 0.016 Uiso 1 1 calc R . .
C2 C 1.1457(5) 0.7136(4) -0.0713(2) 0.0137(8) Uani 1 1 d . . .
H2C H 1.2137 0.6590 -0.1059 0.016 Uiso 1 1 calc R . .
H2D H 1.0787 0.6560 -0.0344 0.016 Uiso 1 1 calc R . .
C3 C 1.2463(4) 0.7494(4) -0.0202(2) 0.0140(8) Uani 1 1 d . . .
H3A H 1.3184 0.6657 0.0064 0.017 Uiso 1 1 calc R . .
H3B H 1.3077 0.8132 -0.0561 0.017 Uiso 1 1 calc R . .
C4 C 0.3321(5) 0.2401(5) 0.3176(3) 0.0257(10) Uani 1 1 d . . .
H4A H 0.2911 0.2260 0.3750 0.031 Uiso 1 1 calc R . .
H4B H 0.3982 0.3066 0.3053 0.031 Uiso 1 1 calc R . .
C5 C 0.4295(5) 0.1044(4) 0.3046(3) 0.0288(11) Uani 1 1 d . . .
H5A H 0.3610 0.0408 0.3127 0.035 Uiso 1 1 calc R . .
H5B H 0.5034 0.0646 0.3462 0.035 Uiso 1 1 calc R . .
C6 C 0.5193(5) 0.1158(4) 0.2205(3) 0.0194(9) Uani 1 1 d . . .
H6C H 0.5821 0.1847 0.2098 0.023 Uiso 1 1 calc R . .
H6D H 0.5896 0.0273 0.2195 0.023 Uiso 1 1 calc R . .
C10 C 0.7033(4) 0.6367(4) 0.0499(2) 0.0100(8) Uani 1 1 d . . .
C11 C 0.9243(4) 0.5324(4) 0.1463(2) 0.0113(8) Uani 1 1 d . . .
C12 C 0.7652(4) 0.8040(4) 0.1337(2) 0.0112(8) Uani 1 1 d . . .
C13 C 0.7409(4) 0.4001(4) 0.2524(2) 0.0119(8) Uani 1 1 d . . .
C14 C 0.8004(5) 0.6331(4) 0.2766(2) 0.0195(9) Uani 1 1 d . . .
C15 C 0.5180(5) 0.6040(4) 0.2905(3) 0.0187(9) Uani 1 1 d . . .
C16 C 0.5131(4) 0.5146(4) 0.1579(2) 0.0101(8) Uani 1 1 d . . .
C17 C 0.4831(5) 0.7860(4) 0.1530(3) 0.0214(10) Uani 1 1 d . . .
N9 N 0.3506(14) 0.3725(12) 0.5142(8) 0.0250(14) Uani 0.50 1 d PU A 1
H9C H 0.2672 0.4004 0.5476 0.030 Uiso 0.50 1 calc PR A 1
H9D H 0.3160 0.3890 0.4645 0.030 Uiso 0.50 1 calc PR A 1
C7 C 0.4011(13) 0.2188(11) 0.5464(7) 0.0250(14) Uani 0.50 1 d PU A 1
H7A H 0.3187 0.1754 0.5424 0.030 Uiso 0.50 1 calc PR A 1
H7B H 0.4190 0.1955 0.6041 0.030 Uiso 0.50 1 calc PR A 1
C8 C 0.5491(13) 0.1641(11) 0.4982(7) 0.0250(14) Uani 0.50 1 d PU A 1
H8A H 0.5682 0.0635 0.5134 0.030 Uiso 0.50 1 calc PR A 1
H8B H 0.5336 0.1972 0.4399 0.030 Uiso 0.50 1 calc PR A 1
C9 C 0.6918(14) 0.2058(11) 0.5117(7) 0.0250(14) Uani 0.50 1 d PU A 1
H9A H 0.6984 0.1860 0.5705 0.030 Uiso 0.50 1 calc PR A 1
H9B H 0.7847 0.1502 0.4894 0.030 Uiso 0.50 1 calc PR A 1
N10 N 0.6897(19) 0.3555(11) 0.4724(9) 0.0250(14) Uani 0.50 1 d PU A 1
H10A H 0.7004 0.3686 0.4174 0.030 Uiso 0.50 1 calc PR A 1
H10B H 0.7752 0.3736 0.4857 0.030 Uiso 0.50 1 calc PR A 1
N9' N 0.3875(17) 0.3506(13) 0.5143(9) 0.0388(19) Uani 0.50 1 d PU A 2
H9'C H 0.3025 0.3661 0.5498 0.047 Uiso 0.50 1 calc PR A 2
H9'D H 0.3520 0.3632 0.4654 0.047 Uiso 0.50 1 calc PR A 2
C7' C 0.4636(15) 0.2009(12) 0.5429(8) 0.0388(19) Uani 0.50 1 d PU A 2
H7'A H 0.4833 0.1792 0.6002 0.047 Uiso 0.50 1 calc PR A 2
H7'B H 0.3926 0.1455 0.5396 0.047 Uiso 0.50 1 calc PR A 2
C8' C 0.6120(16) 0.1631(13) 0.4940(8) 0.0388(19) Uani 0.50 1 d PU A 2
H8'A H 0.5942 0.1946 0.4360 0.047 Uiso 0.50 1 calc PR A 2
H8'B H 0.6459 0.0627 0.5083 0.047 Uiso 0.50 1 calc PR A 2
C9' C 0.7415(16) 0.2238(13) 0.5069(8) 0.0388(19) Uani 0.50 1 d PU A 2
H9'A H 0.7507 0.2029 0.5656 0.047 Uiso 0.50 1 calc PR A 2
H9'B H 0.8402 0.1814 0.4816 0.047 Uiso 0.50 1 calc PR A 2
N10' N 0.709(2) 0.3791(13) 0.4701(10) 0.0388(19) Uani 0.50 1 d PU A 2
H10C H 0.7208 0.3947 0.4149 0.047 Uiso 0.50 1 calc PR A 2
H10D H 0.7853 0.4102 0.4835 0.047 Uiso 0.50 1 calc PR A 2
O1 O 0.0106(4) 0.0563(3) 0.3550(2) 0.0430(9) Uani 1 1 d . . .
O2 O 0.0891(5) 0.8417(4) 0.2734(3) 0.0748(15) Uani 1 1 d . . .
O3 O 0.0907(8) 0.1282(6) 0.4932(4) 0.0333(16) Uani 0.50 1 d P . .
O4 O 0.1536(14) 0.4943(11) 0.3694(11) 0.146(6) Uani 0.50 1 d P . .
O5 O 0.0239(13) 0.6202(12) 0.4749(8) 0.117(5) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C17 Mo1 C14 110.52(16) . . ?
C17 Mo1 C16 78.62(14) . . ?
C14 Mo1 C16 143.84(14) . . ?
C17 Mo1 C15 72.29(18) . . ?
C14 Mo1 C15 72.90(15) . . ?
C16 Mo1 C15 77.36(14) . . ?
C17 Mo1 C12 71.47(15) . . ?
C14 Mo1 C12 72.85(15) . . ?
C16 Mo1 C12 140.41(14) . . ?
C15 Mo1 C12 115.80(14) . . ?
C17 Mo1 C13 141.67(16) . . ?
C14 Mo1 C13 79.10(15) . . ?
C16 Mo1 C13 74.03(14) . . ?
C15 Mo1 C13 75.87(15) . . ?
C12 Mo1 C13 143.73(15) . . ?
C17 Mo1 C10 83.54(16) . . ?
C14 Mo1 C10 141.59(14) . . ?
C16 Mo1 C10 72.50(14) . . ?
C15 Mo1 C10 144.45(15) . . ?
C12 Mo1 C10 78.81(14) . . ?
C13 Mo1 C10 112.42(13) . . ?
C17 Mo1 C11 145.47(16) . . ?
C14 Mo1 C11 76.99(15) . . ?
C16 Mo1 C11 115.91(13) . . ?
C15 Mo1 C11 139.35(15) . . ?
C12 Mo1 C11 79.45(14) . . ?
C13 Mo1 C11 72.11(14) . . ?
C10 Mo1 C11 72.71(14) . . ?
N3 Cu1 N4 92.31(14) 2_665 1_455 ?
N3 Cu1 N7 87.14(13) 2_665 . ?
N4 Cu1 N7 160.16(13) 1_455 . ?
N3 Cu1 N6 165.85(13) 2_665 . ?
N4 Cu1 N6 85.80(13) 1_455 . ?
N7 Cu1 N6 89.90(14) . . ?
N3 Cu1 N8 100.90(12) 2_665 . ?
N4 Cu1 N8 102.18(12) 1_455 . ?
N7 Cu1 N8 97.39(12) . . ?
N6 Cu1 N8 93.20(13) . . ?
N1 Cu2 N1 180.0 2_775 . ?
N1 Cu2 N2 91.07(12) 2_775 . ?
N1 Cu2 N2 88.93(12) . . ?
N1 Cu2 N2 88.93(12) 2_775 2_775 ?
N1 Cu2 N2 91.07(12) . 2_775 ?
N2 Cu2 N2 180.00(18) . 2_775 ?
N1 Cu2 N5 87.22(12) 2_775 2_775 ?
N1 Cu2 N5 92.78(12) . 2_775 ?
N2 Cu2 N5 94.89(12) . 2_775 ?
N2 Cu2 N5 85.11(12) 2_775 2_775 ?
N1 Cu2 N5 92.78(12) 2_775 . ?
N1 Cu2 N5 87.22(12) . . ?
N2 Cu2 N5 85.11(12) . . ?
N2 Cu2 N5 94.89(12) 2_775 . ?
N5 Cu2 N5 180.0 2_775 . ?
N9' Cu3 N9' 180.0(8) 2_666 . ?
N9' Cu3 N9 170.2(4) 2_666 . ?
N9' Cu3 N9 9.8(4) . . ?
N9' Cu3 N9 9.8(4) 2_666 2_666 ?
N9' Cu3 N9 170.2(4) . 2_666 ?
N9 Cu3 N9 180.0(7) . 2_666 ?
N9' Cu3 N10' 87.8(4) 2_666 . ?
N9' Cu3 N10' 92.2(4) . . ?
N9 Cu3 N10' 101.7(4) . . ?
N9 Cu3 N10' 78.3(4) 2_666 . ?
N9' Cu3 N10' 92.2(4) 2_666 2_666 ?
N9' Cu3 N10' 87.8(4) . 2_666 ?
N9 Cu3 N10' 78.3(4) . 2_666 ?
N9 Cu3 N10' 101.7(4) 2_666 2_666 ?
N10' Cu3 N10' 180.000(3) . 2_666 ?
N9' Cu3 N10 96.9(5) 2_666 . ?
N9' Cu3 N10 83.1(5) . . ?
N9 Cu3 N10 92.6(4) . . ?
N9 Cu3 N10 87.4(4) 2_666 . ?
N10' Cu3 N10 9.1(6) . . ?
N10' Cu3 N10 170.9(6) 2_666 . ?
N9' Cu3 N10 83.1(5) 2_666 2_666 ?
N9' Cu3 N10 96.9(5) . 2_666 ?
N9 Cu3 N10 87.4(4) . 2_666 ?
N9 Cu3 N10 92.6(4) 2_666 2_666 ?
N10' Cu3 N10 170.9(6) . 2_666 ?
N10' Cu3 N10 9.1(6) 2_666 2_666 ?
N10 Cu3 N10 180.000(2) . 2_666 ?
C1 N1 Cu2 117.3(2) . . ?
C3 N2 Cu2 115.8(2) . . ?
C10 N3 Cu1 177.4(3) . 2_665 ?
C11 N4 Cu1 158.9(3) . 1_655 ?
C12 N5 Cu2 139.3(3) . . ?
C4 N6 Cu1 116.5(3) . . ?
C6 N7 Cu1 117.3(2) . . ?
C16 N8 Cu1 169.8(3) . . ?
N1 C1 C2 111.6(3) . . ?
C1 C2 C3 114.6(3) . . ?
N2 C3 C2 111.4(3) . . ?
N6 C4 C5 112.3(4) . . ?
C4 C5 C6 114.5(4) . . ?
N7 C6 C5 110.7(3) . . ?
N3 C10 Mo1 177.5(3) . . ?
N4 C11 Mo1 176.3(3) . . ?
N5 C12 Mo1 178.7(3) . . ?
N11 C13 Mo1 177.9(3) . . ?
N12 C14 Mo1 176.8(4) . . ?
N13 C15 Mo1 177.0(4) . . ?
N8 C16 Mo1 178.8(3) . . ?
N14 C17 Mo1 176.3(5) . . ?
C7 N9 Cu3 121.6(8) . . ?
N9 C7 C8 110.6(9) . . ?
C9 C8 C7 114.0(9) . . ?
N10 C9 C8 112.8(9) . . ?
C9 N10 Cu3 118.7(9) . . ?
C7' N9' Cu3 122.4(10) . . ?
C8' C7' N9' 112.6(10) . . ?
C7' C8' C9' 113.5(11) . . ?
N10' C9' C8' 111.3(11) . . ?
C9' N10' Cu3 120.0(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 C17 2.149(4) . ?
Mo1 C14 2.154(4) . ?
Mo1 C16 2.156(4) . ?
Mo1 C15 2.156(4) . ?
Mo1 C12 2.158(4) . ?
Mo1 C13 2.164(4) . ?
Mo1 C10 2.165(4) . ?
Mo1 C11 2.168(4) . ?
Cu1 N3 2.008(3) 2_665 ?
Cu1 N4 2.015(3) 1_455 ?
Cu1 N7 2.023(3) . ?
Cu1 N6 2.041(3) . ?
Cu1 N8 2.165(3) . ?
Cu2 N1 2.038(3) 2_775 ?
Cu2 N1 2.038(3) . ?
Cu2 N2 2.047(3) . ?
Cu2 N2 2.047(3) 2_775 ?
Cu2 N5 2.440(4) 2_775 ?
Cu2 N5 2.440(4) . ?
Cu3 N9' 1.980(18) 2_666 ?
Cu3 N9' 1.980(18) . ?
Cu3 N9 2.035(16) . ?
Cu3 N9 2.035(16) 2_666 ?
Cu3 N10' 2.040(18) . ?
Cu3 N10' 2.040(18) 2_666 ?
Cu3 N10 2.041(15) . ?
Cu3 N10 2.041(15) 2_666 ?
N1 C1 1.477(5) . ?
N2 C3 1.479(5) . ?
N3 C10 1.149(5) . ?
N3 Cu1 2.008(3) 2_665 ?
N4 C11 1.142(5) . ?
N4 Cu1 2.015(3) 1_655 ?
N5 C12 1.146(5) . ?
N6 C4 1.480(5) . ?
N7 C6 1.489(5) . ?
N8 C16 1.161(5) . ?
N11 C13 1.151(5) . ?
N12 C14 1.155(5) . ?
N13 C15 1.156(5) . ?
N14 C17 1.140(5) . ?
C1 C2 1.504(5) . ?
C2 C3 1.516(5) . ?
C4 C5 1.507(6) . ?
C5 C6 1.511(6) . ?
N9 C7 1.492(13) . ?
C7 C8 1.507(12) . ?
C8 C9 1.506(14) . ?
C9 N10 1.489(14) . ?
N9' C7' 1.488(14) . ?
C7' C8' 1.469(15) . ?
C8' C9' 1.513(17) . ?
C9' N10' 1.510(16) . ?
