#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:34:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180511 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/80/7218061.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_7218061
loop_
_publ_author_name
'Hao, Xiu-Li'
'Ma, Yuan-Yuan'
'Wang, Yong-Hui'
'Zang, Hong-Ying'
'Li, Yang-Guang'
_publ_section_title
;
 Isopolymolybdate-induced organic--inorganic hybrid assemblies with copper
 ions and bichelate-bridging ligands
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              10017
_journal_paper_doi               10.1039/C4CE01591F
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C48 H40 Cu2 Mo6 N12 O19'
_chemical_formula_weight         1791.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3590(6)
_cell_length_b                   12.5591(4)
_cell_length_c                   25.1230(7)
_cell_measurement_reflns_used    4525
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2614
_cell_measurement_theta_min      2.9598
_cell_volume                     5477.2(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_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  0.0753
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            19408
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.176
_exptl_absorpt_correction_T_max  0.6461
_exptl_absorpt_correction_T_min  0.6016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3496
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         4812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0438
_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)+(0.0197P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0861
_reflns_number_gt                3247
_reflns_number_total             4812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01591f2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7218060--7218066.cif.
;
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               7218061
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'
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
Cu1 Cu 0.16818(5) 0.57760(6) 0.27951(3) 0.0492(3) Uani 1 1 d .
Mo1 Mo 0.44140(3) 0.66020(4) -0.02370(2) 0.03637(17) Uani 1 1 d .
Mo2 Mo 0.61918(3) 0.58073(4) -0.00546(2) 0.03663(17) Uani 1 1 d .
Mo3 Mo 0.49159(4) 0.54724(4) 0.08862(2) 0.03579(17) Uani 1 1 d .
O1 O 0.5515(2) 0.6937(3) -0.01902(15) 0.0387(11) Uani 1 1 d .
O2 O 0.6051(2) 0.5281(3) -0.07517(14) 0.0375(11) Uani 1 1 d .
O3 O 0.4472(3) 0.6660(3) 0.05475(15) 0.0400(11) Uani 1 1 d .
O4 O 0.3573(2) 0.5681(3) -0.01460(16) 0.0415(11) Uani 1 1 d .
O5 O 0.4836(3) 0.5759(3) 0.15386(15) 0.0514(13) Uani 1 1 d .
O6 O 0.5000 0.5000 0.0000 0.0269(13) Uani 1 2 d S
O7 O 0.5905(2) 0.5954(3) 0.07004(15) 0.0419(11) Uani 1 1 d .
O8 O 0.7067(2) 0.6366(4) -0.00703(17) 0.0507(13) Uani 1 1 d .
O9 O 0.4647(2) 0.5970(3) -0.09003(14) 0.0383(11) Uani 1 1 d .
O10 O 0.4028(3) 0.7778(3) -0.04003(17) 0.0539(13) Uani 1 1 d .
C1 C 0.2567(4) 0.6916(5) 0.3667(3) 0.0459(18) Uani 1 1 d .
H1A H 0.2768 0.6239 0.3763 0.055 Uiso 1 1 calc R
C2 C 0.2747(4) 0.7780(6) 0.3979(2) 0.0460(18) Uani 1 1 d .
H2A H 0.3067 0.7698 0.4283 0.055 Uiso 1 1 calc R
C3 C 0.2464(4) 0.8753(5) 0.3847(2) 0.0411(17) Uani 1 1 d .
H3A H 0.2580 0.9360 0.4058 0.049 Uiso 1 1 calc R
C4 C 0.1998(4) 0.8841(5) 0.3396(2) 0.0362(16) Uani 1 1 d .
H4A H 0.1791 0.9512 0.3296 0.043 Uiso 1 1 calc R
C5 C 0.1844(3) 0.7953(5) 0.3100(2) 0.0310(15) Uani 1 1 d .
C6 C 0.1353(4) 0.7991(5) 0.2632(2) 0.0324(15) Uani 1 1 d .
C7 C 0.1039(4) 0.8847(5) 0.2351(3) 0.0472(19) Uani 1 1 d .
H7A H 0.1110 0.9585 0.2419 0.057 Uiso 1 1 calc R
C8 C 0.0614(4) 0.8400(5) 0.1963(2) 0.0503(19) Uani 1 1 d .
H8A H 0.0329 0.8774 0.1700 0.060 Uiso 1 1 calc R
C9 C 0.0254(4) 0.6550(5) 0.1698(2) 0.0415(17) Uani 1 1 d .
H9A H -0.0241 0.6856 0.1576 0.050 Uiso 1 1 calc R
H9B H 0.0132 0.5940 0.1933 0.050 Uiso 1 1 calc R
C10 C 0.0685(4) 0.6137(5) 0.1219(2) 0.0314(15) Uani 1 1 d .
C11 C 0.1403(4) 0.6514(5) 0.1082(3) 0.0465(18) Uani 1 1 d .
H11A H 0.1634 0.7062 0.1288 0.056 Uiso 1 1 calc R
C12 C 0.1794(4) 0.6101(6) 0.0646(3) 0.0490(19) Uani 1 1 d .
H12A H 0.2287 0.6374 0.0552 0.059 Uiso 1 1 calc R
C13 C 0.1471(5) 0.5302(6) 0.0351(3) 0.055(2) Uani 1 1 d .
H13A H 0.1743 0.5002 0.0059 0.066 Uiso 1 1 calc R
C14 C 0.0739(4) 0.4933(5) 0.0484(2) 0.0430(18) Uani 1 1 d .
H14A H 0.0516 0.4374 0.0282 0.052 Uiso 1 1 calc R
C15 C 0.0334(4) 0.5364(5) 0.0902(2) 0.0322(15) Uani 1 1 d .
C16 C -0.0482(4) 0.5026(5) 0.0997(2) 0.0375(16) Uani 1 1 d .
H16A H -0.0797 0.5669 0.1063 0.045 Uiso 1 1 calc R
H16B H -0.0680 0.4685 0.0669 0.045 Uiso 1 1 calc R
C17 C -0.0359(4) 0.3275(5) 0.1474(3) 0.0480(19) Uani 1 1 d .
H17A H -0.0056 0.2911 0.1218 0.058 Uiso 1 1 calc R
C18 C -0.0630(4) 0.2854(5) 0.1932(3) 0.0441(18) Uani 1 1 d .
H18A H -0.0553 0.2151 0.2061 0.053 Uiso 1 1 calc R
C19 C -0.1045(4) 0.3670(5) 0.2174(2) 0.0326(15) Uani 1 1 d .
C20 C -0.1486(4) 0.3705(5) 0.2666(2) 0.0344(15) Uani 1 1 d .
C21 C -0.1457(4) 0.2896(5) 0.3040(2) 0.0460(18) Uani 1 1 d .
H21A H -0.1159 0.2275 0.2976 0.055 Uiso 1 1 calc R
C22 C -0.1866(4) 0.3005(7) 0.3505(3) 0.057(2) Uani 1 1 d .
H22A H -0.1852 0.2464 0.3769 0.069 Uiso 1 1 calc R
C23 C -0.2294(5) 0.3902(7) 0.3580(3) 0.058(2) Uani 1 1 d .
H23A H -0.2587 0.3986 0.3896 0.069 Uiso 1 1 calc R
C24 C -0.2302(4) 0.4683(6) 0.3200(3) 0.0520(19) Uani 1 1 d .
H24A H -0.2603 0.5303 0.3260 0.062 Uiso 1 1 calc R
N1 N 0.2121(3) 0.6982(4) 0.32326(19) 0.0360(13) Uani 1 1 d .
N2 N 0.1116(3) 0.7073(4) 0.24207(18) 0.0311(12) Uani 1 1 d .
N3 N 0.0659(3) 0.7351(4) 0.20091(18) 0.0356(13) Uani 1 1 d .
N4 N -0.0588(3) 0.4286(4) 0.14428(18) 0.0300(12) Uani 1 1 d .
N5 N -0.1019(3) 0.4544(4) 0.18661(18) 0.0290(12) Uani 1 1 d .
N6 N -0.1898(3) 0.4606(4) 0.27416(19) 0.0368(13) Uani 1 1 d .
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'
Mo Mo -1.6832 0.6857 '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'
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
N1 Cu1 N6 146.5(2) . 4
N1 Cu1 N5 122.46(19) . 4
N6 Cu1 N5 80.7(2) 4 4
N1 Cu1 N2 80.82(19) . .
N6 Cu1 N2 110.30(19) 4 .
N5 Cu1 N2 119.34(19) 4 .
O10 Mo1 O4 105.2(2) . .
O10 Mo1 O9 103.91(19) . .
O4 Mo1 O9 90.85(18) . .
O10 Mo1 O1 102.5(2) . .
O4 Mo1 O1 152.04(17) . .
O9 Mo1 O1 86.24(17) . .
O10 Mo1 O3 103.44(19) . .
O4 Mo1 O3 86.60(17) . .
O9 Mo1 O3 152.23(17) . .
O1 Mo1 O3 83.27(17) . .
O10 Mo1 O6 177.58(17) . .
O4 Mo1 O6 77.08(13) . .
O9 Mo1 O6 76.66(12) . .
O1 Mo1 O6 75.20(11) . .
O3 Mo1 O6 75.81(11) . .
O8 Mo2 O1 104.3(2) . .
O8 Mo2 O2 104.03(19) . .
O1 Mo2 O2 90.86(17) . .
O8 Mo2 O7 102.27(19) . .
O1 Mo2 O7 86.89(17) . .
O2 Mo2 O7 153.33(16) . .
O8 Mo2 O4 102.4(2) . 5_665
O1 Mo2 O4 153.06(17) . 5_665
O2 Mo2 O4 86.14(17) . 5_665
O7 Mo2 O4 83.99(17) . 5_665
O8 Mo2 O6 177.54(16) . .
O1 Mo2 O6 77.38(12) . .
O2 Mo2 O6 77.60(12) . .
O7 Mo2 O6 75.97(12) . .
O4 Mo2 O6 75.82(12) 5_665 .
O5 Mo3 O7 104.39(19) . .
O5 Mo3 O3 103.70(19) . .
O7 Mo3 O3 90.40(18) . .
O5 Mo3 O2 101.55(19) . 5_665
O7 Mo3 O2 153.73(16) . 5_665
O3 Mo3 O2 87.37(18) . 5_665
O5 Mo3 O9 102.20(18) . 5_665
O7 Mo3 O9 87.04(18) . 5_665
O3 Mo3 O9 153.79(16) . 5_665
O2 Mo3 O9 83.59(17) 5_665 5_665
O5 Mo3 O6 177.22(14) . .
O7 Mo3 O6 77.62(11) . .
O3 Mo3 O6 78.09(11) . .
O2 Mo3 O6 76.32(10) 5_665 .
O9 Mo3 O6 75.88(10) 5_665 .
Mo2 O1 Mo1 117.36(19) . .
Mo2 O2 Mo3 116.14(19) . 5_665
Mo3 O3 Mo1 116.27(19) . .
Mo1 O4 Mo2 116.9(2) . 5_665
Mo2 O6 Mo2 180.00(4) 5_665 .
Mo2 O6 Mo3 90.065(19) 5_665 5_665
Mo2 O6 Mo3 89.935(19) . 5_665
Mo2 O6 Mo3 89.935(19) 5_665 .
Mo2 O6 Mo3 90.065(19) . .
Mo3 O6 Mo3 180.000(6) 5_665 .
Mo2 O6 Mo1 89.82(2) 5_665 5_665
Mo2 O6 Mo1 90.18(2) . 5_665
Mo3 O6 Mo1 89.824(19) 5_665 5_665
Mo3 O6 Mo1 90.176(19) . 5_665
Mo2 O6 Mo1 90.18(2) 5_665 .
Mo2 O6 Mo1 89.82(2) . .
Mo3 O6 Mo1 90.176(19) 5_665 .
Mo3 O6 Mo1 89.824(19) . .
Mo1 O6 Mo1 180.00(2) 5_665 .
Mo3 O7 Mo2 116.08(19) . .
Mo1 O9 Mo3 117.02(18) . 5_665
N1 C1 C2 123.1(6) . .
N1 C1 H1A 118.4 . .
C2 C1 H1A 118.4 . .
C3 C2 C1 119.3(6) . .
C3 C2 H2A 120.4 . .
C1 C2 H2A 120.4 . .
C2 C3 C4 118.6(6) . .
C2 C3 H3A 120.7 . .
C4 C3 H3A 120.7 . .
C5 C4 C3 119.3(6) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
N1 C5 C4 122.1(6) . .
N1 C5 C6 116.0(5) . .
C4 C5 C6 121.9(6) . .
N2 C6 C7 110.1(5) . .
N2 C6 C5 118.3(5) . .
C7 C6 C5 131.5(6) . .
C8 C7 C6 105.0(6) . .
C8 C7 H7A 127.5 . .
C6 C7 H7A 127.5 . .
N3 C8 C7 108.7(6) . .
N3 C8 H8A 125.6 . .
C7 C8 H8A 125.6 . .
N3 C9 C10 115.2(5) . .
N3 C9 H9A 108.5 . .
C10 C9 H9A 108.5 . .
N3 C9 H9B 108.5 . .
C10 C9 H9B 108.5 . .
H9A C9 H9B 107.5 . .
C11 C10 C15 119.5(6) . .
C11 C10 C9 122.0(6) . .
C15 C10 C9 118.5(5) . .
C10 C11 C12 120.8(6) . .
C10 C11 H11A 119.6 . .
C12 C11 H11A 119.6 . .
C13 C12 C11 120.0(7) . .
C13 C12 H12A 120.0 . .
C11 C12 H12A 120.0 . .
C12 C13 C14 119.2(6) . .
C12 C13 H13A 120.4 . .
C14 C13 H13A 120.4 . .
C15 C14 C13 121.3(7) . .
C15 C14 H14A 119.4 . .
C13 C14 H14A 119.4 . .
C14 C15 C10 119.0(6) . .
C14 C15 C16 119.6(6) . .
C10 C15 C16 121.4(5) . .
N4 C16 C15 114.8(5) . .
N4 C16 H16A 108.6 . .
C15 C16 H16A 108.6 . .
N4 C16 H16B 108.6 . .
C15 C16 H16B 108.6 . .
H16A C16 H16B 107.6 . .
N4 C17 C18 108.7(6) . .
N4 C17 H17A 125.7 . .
C18 C17 H17A 125.7 . .
C17 C18 C19 105.2(6) . .
C17 C18 H18A 127.4 . .
C19 C18 H18A 127.4 . .
N5 C19 C18 109.5(5) . .
N5 C19 C20 118.8(5) . .
C18 C19 C20 131.7(6) . .
N6 C20 C21 122.6(6) . .
N6 C20 C19 115.0(5) . .
C21 C20 C19 122.4(6) . .
C22 C21 C20 119.0(7) . .
C22 C21 H21A 120.5 . .
C20 C21 H21A 120.5 . .
C23 C22 C21 118.8(7) . .
C23 C22 H22A 120.6 . .
C21 C22 H22A 120.6 . .
C22 C23 C24 120.2(7) . .
C22 C23 H23A 119.9 . .
C24 C23 H23A 119.9 . .
N6 C24 C23 122.5(7) . .
N6 C24 H24A 118.7 . .
C23 C24 H24A 118.7 . .
C1 N1 C5 117.5(5) . .
C1 N1 Cu1 127.9(4) . .
C5 N1 Cu1 114.0(4) . .
C6 N2 N3 105.3(5) . .
C6 N2 Cu1 110.1(4) . .
N3 N2 Cu1 144.1(4) . .
C8 N3 N2 111.0(5) . .
C8 N3 C9 127.8(6) . .
N2 N3 C9 121.2(5) . .
C17 N4 N5 110.4(5) . .
C17 N4 C16 127.6(5) . .
N5 N4 C16 121.6(5) . .
N4 N5 C19 106.1(5) . .
N4 N5 Cu1 143.4(4) . 4
C19 N5 Cu1 110.5(4) . 4
C24 N6 C20 117.0(5) . .
C24 N6 Cu1 127.6(5) . 4
C20 N6 Cu1 114.5(4) . 4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.021(5) .
Cu1 N6 2.029(5) 4
Cu1 N5 2.107(5) 4
Cu1 N2 2.122(5) .
Mo1 O10 1.673(4) .
Mo1 O4 1.877(4) .
Mo1 O9 1.890(4) .
Mo1 O1 1.961(4) .
Mo1 O3 1.975(4) .
Mo1 O6 2.3318(5) .
Mo2 O8 1.674(4) .
Mo2 O1 1.873(4) .
Mo2 O2 1.888(4) .
Mo2 O7 1.970(4) .
Mo2 O4 1.978(4) 5_665
Mo2 O6 2.3081(6) .
Mo3 O5 1.684(4) .
Mo3 O7 1.880(4) .
Mo3 O3 1.882(4) .
Mo3 O2 1.956(4) 5_665
Mo3 O9 1.964(4) 5_665
Mo3 O6 2.3086(5) .
O2 Mo3 1.956(4) 5_665
O4 Mo2 1.978(4) 5_665
O6 Mo2 2.3081(6) 5_665
O6 Mo3 2.3086(5) 5_665
O6 Mo1 2.3318(5) 5_665
O9 Mo3 1.964(4) 5_665
C1 N1 1.340(7) .
C1 C2 1.375(9) .
C1 H1A 0.9500 .
C2 C3 1.358(9) .
C2 H2A 0.9500 .
C3 C4 1.396(8) .
C3 H3A 0.9500 .
C4 C5 1.368(8) .
C4 H4A 0.9500 .
C5 N1 1.352(7) .
C5 C6 1.453(8) .
C6 N2 1.333(7) .
C6 C7 1.397(8) .
C7 C8 1.345(8) .
C7 H7A 0.9500 .
C8 N3 1.325(7) .
C8 H8A 0.9500 .
C9 N3 1.455(7) .
C9 C10 1.510(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.377(8) .
C10 C15 1.395(8) .
C11 C12 1.389(9) .
C11 H11A 0.9500 .
C12 C13 1.367(9) .
C12 H12A 0.9500 .
C13 C14 1.393(9) .
C13 H13A 0.9500 .
C14 C15 1.376(8) .
C14 H14A 0.9500 .
C15 C16 1.497(8) .
C16 N4 1.467(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 N4 1.334(7) .
C17 C18 1.349(8) .
C17 H17A 0.9500 .
C18 C19 1.393(8) .
C18 H18A 0.9500 .
C19 N5 1.343(7) .
C19 C20 1.456(8) .
C20 N6 1.352(7) .
C20 C21 1.384(8) .
C21 C22 1.373(9) .
C21 H21A 0.9500 .
C22 C23 1.363(10) .
C22 H22A 0.9500 .
C23 C24 1.369(9) .
C23 H23A 0.9500 .
C24 N6 1.351(8) .
C24 H24A 0.9500 .
N2 N3 1.349(6) .
N4 N5 1.340(6) .
N5 Cu1 2.107(5) 4
N6 Cu1 2.029(5) 4
