#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/28/1512853.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_1512853
loop_
_publ_author_name
'Stephanie Jones'
'Jose M. Vargas'
'Steven Pellizzeri'
'Charles J. O-Connor'
'Jon Zubieta'
_publ_section_title
;
 Solid state coordination chemistry: Structural consequences of varying
 diphosphonate tether length and fluoride incorporation in the
 copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy =
 2,2':4',4":2',2"'-quarterpyridyl-6',6'-di-2-pyridine)
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              44
_journal_page_last               57
_journal_paper_doi               10.1016/j.ica.2012.10.023
_journal_volume                  395
_journal_year                    2013
_chemical_formula_moiety         'C34 H29 Cu2 Mo5 N6 O22 P2, 4(H2O), O0.50'
_chemical_formula_sum            'C34 H39 Cu2 Mo5 N6 O26.5 P2'
_chemical_formula_weight         1624.43
_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
_cell_angle_alpha                100.314(3)
_cell_angle_beta                 104.841(3)
_cell_angle_gamma                90.885(3)
_cell_formula_units_Z            2
_cell_length_a                   10.4478(16)
_cell_length_b                   15.021(2)
_cell_length_c                   15.994(2)
_cell_measurement_reflns_used    9450
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.81
_cell_measurement_theta_min      2.52
_cell_volume                     2382.1(6)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2011)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2011)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2011)'
_computing_molecular_graphics    'CrystalMaker (Palmer,  2010)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX II CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0162
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            51777
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    2.315
_exptl_absorpt_correction_T_max  0.9248
_exptl_absorpt_correction_T_min  0.7202
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker APEX2 (Bruker, 2011)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1590
_exptl_crystal_size_max          0.354
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.071
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.763
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         11422
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      0.763
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                10469
_reflns_number_total             11422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-395-44-57-1.cif
_cod_data_source_block           compound-1.4.5H2O
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C34 H39 Cu2 Mo5 N6 O26.50 P2'
_cod_database_code               1512853
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
Mo1 Mo 0.233623(16) 0.650377(11) 0.841567(11) 0.00713(5) Uani 1 1 d .
Mo2 Mo -0.079810(17) 0.678204(12) 0.850645(12) 0.00860(5) Uani 1 1 d .
Mo3 Mo -0.223370(17) 0.798678(12) 0.696825(11) 0.00825(5) Uani 1 1 d .
Mo4 Mo 0.054725(17) 0.895964(11) 0.631389(11) 0.00794(5) Uani 1 1 d .
Mo5 Mo 0.309448(16) 0.770856(11) 0.698094(11) 0.00741(5) Uani 1 1 d .
Cu1 Cu 0.55852(3) 0.697635(18) 0.999645(17) 0.01126(7) Uani 1 1 d .
Cu2 Cu -0.52519(2) 0.752896(16) 0.515948(16) 0.00829(6) Uani 1 1 d .
P1 P 0.10264(5) 0.86405(3) 0.83446(3) 0.00765(10) Uani 1 1 d .
P2 P 0.00380(5) 0.66500(3) 0.65251(3) 0.00772(10) Uani 1 1 d .
O1 O 0.38185(15) 0.68090(10) 0.92387(10) 0.0123(3) Uani 1 1 d .
O2 O 0.22410(15) 0.53523(10) 0.82709(10) 0.0129(3) Uani 1 1 d .
O3 O 0.11007(14) 0.68563(10) 0.90715(10) 0.0102(3) Uani 1 1 d .
O4 O -0.11480(15) 0.56457(11) 0.84305(11) 0.0144(3) Uani 1 1 d .
O5 O -0.11962(16) 0.73051(11) 0.94468(10) 0.0146(3) Uani 1 1 d .
O6 O -0.23042(14) 0.70326(10) 0.76172(10) 0.0113(3) Uani 1 1 d .
O7 O -0.27244(15) 0.88756(11) 0.76151(10) 0.0130(3) Uani 1 1 d .
O8 O -0.36608(15) 0.76846(10) 0.60865(10) 0.0124(3) Uani 1 1 d .
O9 O -0.11829(14) 0.86479(10) 0.64661(10) 0.0103(3) Uani 1 1 d .
O10 O 0.05420(15) 1.01000(10) 0.63318(11) 0.0129(3) Uani 1 1 d .
O11 O 0.02012(15) 0.85104(10) 0.52092(10) 0.0133(3) Uani 1 1 d .
O12 O 0.24328(14) 0.88165(10) 0.66846(10) 0.0094(3) Uani 1 1 d .
O13 O 0.34402(15) 0.72092(10) 0.60129(10) 0.0116(3) Uani 1 1 d .
O14 O 0.46087(15) 0.81128(10) 0.76666(10) 0.0126(3) Uani 1 1 d .
O15 O 0.28960(14) 0.66021(10) 0.74014(10) 0.0091(3) Uani 1 1 d .
O16 O 0.22031(14) 0.80461(9) 0.82827(10) 0.0090(3) Uani 1 1 d .
O17 O 0.09114(14) 0.93444(10) 0.77599(10) 0.0100(3) Uani 1 1 d .
O18 O -0.03069(14) 0.80482(10) 0.80700(10) 0.0089(3) Uani 1 1 d .
O19 O -0.14007(15) 0.68384(10) 0.61948(10) 0.0107(3) Uani 1 1 d .
O20 O 0.09271(14) 0.74844(9) 0.65348(10) 0.0085(3) Uani 1 1 d .
O21 O 0.03244(14) 0.63937(10) 0.74429(10) 0.0090(3) Uani 1 1 d .
O90 O 0.62749(17) 0.79136(12) 0.92677(12) 0.0194(3) Uani 1 1 d D
O91 O 0.7959(3) 0.73137(17) 0.44111(14) 0.0449(7) Uani 1 1 d D
O92 O 0.6615(2) 0.63191(16) 0.27086(14) 0.0363(5) Uani 1 1 d D
O93 O 0.1307(2) 0.94241(12) 0.23448(13) 0.0268(4) Uani 1 1 d D
O94 O 0.1370(3) 0.78669(16) 0.10903(18) 0.0503(7) Uani 1 1 d D
O95 O 0.4211(6) 0.7744(3) 0.2601(4) 0.0593(16) Uani 0.50 1 d P
N1 N 0.52999(19) 0.80796(13) 1.08327(13) 0.0162(4) Uani 1 1 d .
N2 N 0.72125(17) 0.70387(12) 1.09189(12) 0.0101(3) Uani 1 1 d .
N3 N 0.62931(18) 0.57732(13) 0.96001(12) 0.0141(4) Uani 1 1 d .
N4 N -0.57811(18) 0.88212(12) 0.53419(12) 0.0109(3) Uani 1 1 d .
N5 N -0.68170(17) 0.74263(12) 0.41887(12) 0.0104(3) Uani 1 1 d .
N6 N -0.50763(18) 0.62750(12) 0.44811(12) 0.0106(3) Uani 1 1 d .
C1 C 0.4253(2) 0.85823(18) 1.06965(17) 0.0243(6) Uani 1 1 d .
H1 H 0.3504 0.8359 1.0243 0.029 Uiso 1 1 calc R
C2 C 0.4247(3) 0.94321(18) 1.12131(17) 0.0242(6) Uani 1 1 d .
H2 H 0.3502 0.9769 1.1114 0.029 Uiso 1 1 calc R
C3 C 0.5376(2) 0.97658(16) 1.18797(16) 0.0186(5) Uani 1 1 d .
H3 H 0.5402 1.0336 1.2227 0.022 Uiso 1 1 calc R
C4 C 0.6469(2) 0.92413(15) 1.20245(15) 0.0152(4) Uani 1 1 d .
H4 H 0.7232 0.9455 1.2469 0.018 Uiso 1 1 calc R
C5 C 0.6399(2) 0.83933(15) 1.14934(15) 0.0132(4) Uani 1 1 d .
C6 C 0.7479(2) 0.77607(14) 1.15695(14) 0.0115(4) Uani 1 1 d .
C7 C 0.8647(2) 0.78481(15) 1.22367(15) 0.0138(4) Uani 1 1 d .
H7 H 0.8834 0.8352 1.2691 0.017 Uiso 1 1 calc R
C8 C 0.9545(2) 0.71604(14) 1.22136(14) 0.0112(4) Uani 1 1 d .
C9 C 0.9216(2) 0.64043(14) 1.15252(14) 0.0105(4) Uani 1 1 d .
H9 H 0.9784 0.5935 1.1501 0.013 Uiso 1 1 calc R
C10 C 0.8030(2) 0.63688(14) 1.08810(14) 0.0109(4) Uani 1 1 d .
C11 C 0.7493(2) 0.56226(14) 1.01151(14) 0.0108(4) Uani 1 1 d .
C12 C 0.8105(2) 0.48271(14) 0.99435(14) 0.0119(4) Uani 1 1 d .
H12 H 0.8938 0.4748 1.0295 0.014 Uiso 1 1 calc R
C13 C 0.7469(2) 0.41457(16) 0.92421(16) 0.0180(5) Uani 1 1 d .
H13 H 0.7855 0.3599 0.9127 0.022 Uiso 1 1 calc R
C14 C 0.6239(2) 0.43034(17) 0.87155(16) 0.0216(5) Uani 1 1 d .
H14 H 0.5792 0.3865 0.8237 0.026 Uiso 1 1 calc R
C15 C 0.5691(2) 0.51229(17) 0.89160(15) 0.0196(5) Uani 1 1 d .
H15 H 0.4872 0.5225 0.8561 0.024 Uiso 1 1 calc R
C16 C -0.5130(2) 0.95214(14) 0.59499(15) 0.0130(4) Uani 1 1 d .
H16 H -0.4327 0.9430 0.6331 0.016 Uiso 1 1 calc R
C17 C -0.5613(2) 1.03818(15) 0.60326(15) 0.0143(4) Uani 1 1 d .
H17 H -0.5132 1.0860 0.6454 0.017 Uiso 1 1 calc R
C18 C -0.6820(2) 1.05132(15) 0.54781(15) 0.0154(4) Uani 1 1 d .
H18 H -0.7161 1.1083 0.5519 0.018 Uiso 1 1 calc R
C19 C -0.7518(2) 0.97816(15) 0.48570(15) 0.0142(4) Uani 1 1 d .
H19 H -0.8340 0.9851 0.4486 0.017 Uiso 1 1 calc R
C20 C -0.6963(2) 0.89478(14) 0.48017(14) 0.0104(4) Uani 1 1 d .
C21 C -0.7570(2) 0.81320(14) 0.41434(14) 0.0099(4) Uani 1 1 d .
C22 C -0.8784(2) 0.80594(14) 0.35125(14) 0.0119(4) Uani 1 1 d .
H22 H -0.9320 0.8548 0.3489 0.014 Uiso 1 1 calc R
C23 C -0.9189(2) 0.72392(14) 0.29140(14) 0.0114(4) Uani 1 1 d .
C24 C -0.8361(2) 0.65106(15) 0.29825(14) 0.0126(4) Uani 1 1 d .
H24 H -0.8608 0.5957 0.2598 0.015 Uiso 1 1 calc R
C25 C -0.7167(2) 0.66311(14) 0.36333(14) 0.0110(4) Uani 1 1 d .
C26 C -0.6148(2) 0.59616(14) 0.37997(14) 0.0111(4) Uani 1 1 d .
C27 C -0.6248(2) 0.50914(15) 0.33015(14) 0.0133(4) Uani 1 1 d .
H27 H -0.7008 0.4882 0.2852 0.016 Uiso 1 1 calc R
C28 C -0.5199(2) 0.45417(15) 0.34846(15) 0.0138(4) Uani 1 1 d .
H28 H -0.5237 0.3960 0.3157 0.017 Uiso 1 1 calc R
C29 C -0.4086(2) 0.48770(14) 0.41683(15) 0.0127(4) Uani 1 1 d .
H29 H -0.3365 0.4523 0.4297 0.015 Uiso 1 1 calc R
C30 C -0.4058(2) 0.57448(14) 0.46581(14) 0.0115(4) Uani 1 1 d .
H30 H -0.3316 0.5962 0.5119 0.014 Uiso 1 1 calc R
C31 C 0.1183(2) 0.92273(14) 0.94500(14) 0.0122(4) Uani 1 1 d .
H31A H 0.1305 0.8792 0.9840 0.015 Uiso 1 1 calc R
H31B H 0.1964 0.9645 0.9636 0.015 Uiso 1 1 calc R
C32 C -0.0042(2) 0.97584(16) 0.95335(14) 0.0154(4) Uani 1 1 d .
H32A H -0.0148 1.0203 0.9153 0.018 Uiso 1 1 calc R
H32B H -0.0824 0.9342 0.9328 0.018 Uiso 1 1 calc R
C33 C 0.0407(2) 0.57111(14) 0.58008(14) 0.0108(4) Uani 1 1 d D
C34 C 0.0270(5) 0.5918(3) 0.4888(3) 0.0133(8) Uani 0.50 1 d P
H34B H 0.0903 0.6414 0.4929 0.016 Uiso 0.50 1 calc PR
H34A H -0.0613 0.6115 0.4669 0.016 Uiso 0.50 1 calc PR
C35 C 0.0500(4) 0.5104(3) 0.4231(3) 0.0121(8) Uani 0.50 1 d P
H35B H 0.0328 0.5257 0.3650 0.015 Uiso 0.50 1 calc PR
H35A H 0.1418 0.4954 0.4403 0.015 Uiso 0.50 1 calc PR
H90A H 0.581(2) 0.7971(19) 0.8786(10) 0.018 Uiso 1 1 d D
H91A H 0.8698(15) 0.7542(19) 0.4429(18) 0.018 Uiso 1 1 d D
H92A H 0.710(2) 0.6573(16) 0.3199(11) 0.018 Uiso 1 1 d D
H93A H 0.1889(18) 0.9824(14) 0.239(2) 0.018 Uiso 1 1 d D
H94A H 0.2180(12) 0.789(2) 0.1336(19) 0.018 Uiso 1 1 d D
H90B H 0.7020(13) 0.788(2) 0.9196(17) 0.018 Uiso 1 1 d D
H91B H 0.811(3) 0.7139(19) 0.4887(11) 0.018 Uiso 1 1 d D
H92B H 0.606(2) 0.6694(15) 0.2625(18) 0.018 Uiso 1 1 d D
H93B H 0.0616(15) 0.9710(16) 0.229(2) 0.018 Uiso 1 1 d D
H94B H 0.113(3) 0.833(2) 0.136(3) 0.081(17) Uiso 1 1 d D
H33A H 0.1315(12) 0.5585(18) 0.6028(16) 0.011(6) Uiso 1 1 d 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'
P P 0.1023 0.0942 '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
O2 Mo1 O1 102.77(7) . .
O2 Mo1 O3 103.82(7) . .
O1 Mo1 O3 99.96(7) . .
O2 Mo1 O15 97.61(7) . .
O1 Mo1 O15 100.91(7) . .
O3 Mo1 O15 145.80(6) . .
O2 Mo1 O21 87.82(7) . .
O1 Mo1 O21 168.63(6) . .
O3 Mo1 O21 73.12(6) . .
O15 Mo1 O21 81.50(6) . .
O2 Mo1 O16 167.23(6) . .
O1 Mo1 O16 88.41(6) . .
O3 Mo1 O16 79.91(6) . .
O15 Mo1 O16 73.92(6) . .
O21 Mo1 O16 81.55(5) . .
O4 Mo2 O5 105.19(8) . .
O4 Mo2 O6 99.45(7) . .
O5 Mo2 O6 100.69(7) . .
O4 Mo2 O3 99.41(7) . .
O5 Mo2 O3 93.87(7) . .
O6 Mo2 O3 152.17(6) . .
O4 Mo2 O18 157.57(7) . .
O5 Mo2 O18 96.71(7) . .
O6 Mo2 O18 71.27(6) . .
O3 Mo2 O18 83.65(6) . .
O4 Mo2 O21 87.88(7) . .
O5 Mo2 O21 161.69(7) . .
O6 Mo2 O21 89.47(6) . .
O3 Mo2 O21 71.00(6) . .
O18 Mo2 O21 72.00(5) . .
O7 Mo3 O8 102.36(7) . .
O7 Mo3 O9 98.43(7) . .
O8 Mo3 O9 101.32(7) . .
O7 Mo3 O6 101.20(7) . .
O8 Mo3 O6 100.98(7) . .
O9 Mo3 O6 146.21(6) . .
O7 Mo3 O19 174.87(6) . .
O8 Mo3 O19 82.73(6) . .
O9 Mo3 O19 79.82(6) . .
O6 Mo3 O19 78.19(6) . .
O7 Mo3 O18 88.06(6) . .
O8 Mo3 O18 167.49(6) . .
O9 Mo3 O18 83.73(6) . .
O6 Mo3 O18 69.83(6) . .
O19 Mo3 O18 86.96(5) . .
O10 Mo4 O11 102.80(7) . .
O10 Mo4 O12 100.62(7) . .
O11 Mo4 O12 101.21(7) . .
O10 Mo4 O9 103.86(7) . .
O11 Mo4 O9 96.82(7) . .
O12 Mo4 O9 145.40(6) . .
O10 Mo4 O17 84.95(7) . .
O11 Mo4 O17 171.88(6) . .
O12 Mo4 O17 79.45(6) . .
O9 Mo4 O17 78.75(6) . .
O10 Mo4 O20 168.36(6) . .
O11 Mo4 O20 86.08(6) . .
O12 Mo4 O20 69.92(5) . .
O9 Mo4 O20 82.24(6) . .
O17 Mo4 O20 86.57(5) . .
O14 Mo5 O13 104.27(8) . .
O14 Mo5 O12 99.32(7) . .
O13 Mo5 O12 100.80(7) . .
O14 Mo5 O15 99.05(7) . .
O13 Mo5 O15 96.52(7) . .
O12 Mo5 O15 150.72(6) . .
O14 Mo5 O20 157.87(7) . .
O13 Mo5 O20 97.69(6) . .
O12 Mo5 O20 73.57(6) . .
O15 Mo5 O20 80.88(6) . .
O14 Mo5 O16 87.20(6) . .
O13 Mo5 O16 164.41(6) . .
O12 Mo5 O16 87.45(6) . .
O15 Mo5 O16 70.89(5) . .
O20 Mo5 O16 71.77(5) . .
O1 Cu1 N2 168.49(7) . .
O1 Cu1 N1 97.18(7) . .
N2 Cu1 N1 80.40(8) . .
O1 Cu1 N3 100.14(7) . .
N2 Cu1 N3 79.92(8) . .
N1 Cu1 N3 157.99(8) . .
O1 Cu1 O90 94.12(7) . .
N2 Cu1 O90 96.99(7) . .
N1 Cu1 O90 87.16(8) . .
N3 Cu1 O90 104.95(8) . .
O8 Cu2 N5 176.43(7) . .
O8 Cu2 N4 97.82(7) . .
N5 Cu2 N4 80.39(8) . .
O8 Cu2 N6 101.30(7) . .
N5 Cu2 N6 79.82(8) . .
N4 Cu2 N6 157.31(7) . .
O8 Cu2 O13 94.46(6) . 1_455
N5 Cu2 O13 88.61(7) . 1_455
N4 Cu2 O13 88.69(7) . 1_455
N6 Cu2 O13 101.80(7) . 1_455
O17 P1 O16 111.52(8) . .
O17 P1 O18 108.57(8) . .
O16 P1 O18 110.93(8) . .
O17 P1 C31 107.86(9) . .
O16 P1 C31 111.83(9) . .
O18 P1 C31 105.90(9) . .
O19 P2 O21 111.43(9) . .
O19 P2 O20 109.43(8) . .
O21 P2 O20 111.22(8) . .
O19 P2 C33 108.96(9) . .
O21 P2 C33 107.02(9) . .
O20 P2 C33 108.70(9) . .
Mo1 O1 Cu1 168.95(10) . .
Mo1 O3 Mo2 121.23(8) . .
Mo2 O6 Mo3 122.26(8) . .
Mo3 O8 Cu2 172.14(9) . .
Mo3 O9 Mo4 149.68(8) . .
Mo5 O12 Mo4 121.16(8) . .
Mo5 O13 Cu2 137.50(8) . 1_655
Mo1 O15 Mo5 125.80(8) . .
P1 O16 Mo1 126.90(8) . .
P1 O16 Mo5 124.61(8) . .
Mo1 O16 Mo5 89.26(5) . .
P1 O17 Mo4 122.02(8) . .
P1 O18 Mo2 129.23(8) . .
P1 O18 Mo3 133.92(9) . .
Mo2 O18 Mo3 96.05(5) . .
P2 O19 Mo3 118.88(8) . .
P2 O20 Mo5 129.36(8) . .
P2 O20 Mo4 134.87(8) . .
Mo5 O20 Mo4 95.21(5) . .
P2 O21 Mo1 125.44(8) . .
P2 O21 Mo2 128.07(8) . .
Mo1 O21 Mo2 94.41(6) . .
Cu1 O90 H90A 119(2) . .
Cu1 O90 H90B 119.5(19) . .
H90A O90 H90B 104(2) . .
H91A O91 H91B 102.1(19) . .
H92A O92 H92B 100.0(19) . .
H93A O93 H93B 102.9(19) . .
H94A O94 H94B 102(2) . .
C1 N1 C5 119.9(2) . .
C1 N1 Cu1 125.55(16) . .
C5 N1 Cu1 113.44(15) . .
C6 N2 C10 122.37(19) . .
C6 N2 Cu1 118.25(15) . .
C10 N2 Cu1 119.38(15) . .
C15 N3 C11 118.50(19) . .
C15 N3 Cu1 126.96(16) . .
C11 N3 Cu1 114.51(14) . .
C16 N4 C20 118.94(19) . .
C16 N4 Cu2 127.22(15) . .
C20 N4 Cu2 113.75(14) . .
C21 N5 C25 122.45(19) . .
C21 N5 Cu2 118.14(15) . .
C25 N5 Cu2 119.16(14) . .
C30 N6 C26 119.09(19) . .
C30 N6 Cu2 127.06(15) . .
C26 N6 Cu2 113.81(14) . .
N1 C1 C2 121.9(2) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
C3 C2 C1 118.6(2) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C2 C3 C4 119.6(2) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C5 C4 C3 118.8(2) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 121.2(2) . .
N1 C5 C6 113.87(19) . .
C4 C5 C6 124.9(2) . .
N2 C6 C7 120.5(2) . .
N2 C6 C5 112.67(19) . .
C7 C6 C5 126.8(2) . .
C6 C7 C8 118.8(2) . .
C6 C7 H7 120.6 . .
C8 C7 H7 120.6 . .
C9 C8 C7 118.86(19) . .
C9 C8 C23 121.08(19) . 1_756
C7 C8 C23 120.1(2) . 1_756
C10 C9 C8 118.85(19) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
N2 C10 C9 120.6(2) . .
N2 C10 C11 112.41(18) . .
C9 C10 C11 127.0(2) . .
N3 C11 C12 121.8(2) . .
N3 C11 C10 113.69(18) . .
C12 C11 C10 124.46(19) . .
C11 C12 C13 119.7(2) . .
C11 C12 H12 120.2 . .
C13 C12 H12 120.2 . .
C12 C13 C14 118.3(2) . .
C12 C13 H13 120.9 . .
C14 C13 H13 120.9 . .
C15 C14 C13 119.0(2) . .
C15 C14 H14 120.5 . .
C13 C14 H14 120.5 . .
N3 C15 C14 122.7(2) . .
N3 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
N4 C16 C17 122.2(2) . .
N4 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C18 C17 C16 118.9(2) . .
C18 C17 H17 120.6 . .
C16 C17 H17 120.6 . .
C17 C18 C19 119.2(2) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C20 C19 C18 118.7(2) . .
C20 C19 H19 120.6 . .
C18 C19 H19 120.6 . .
N4 C20 C19 122.0(2) . .
N4 C20 C21 113.96(18) . .
C19 C20 C21 124.0(2) . .
N5 C21 C22 120.40(19) . .
N5 C21 C20 112.99(18) . .
C22 C21 C20 126.60(19) . .
C21 C22 C23 119.1(2) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C22 C23 C24 118.69(19) . .
C22 C23 C8 119.88(19) . 1_354
C24 C23 C8 121.4(2) . 1_354
C25 C24 C23 119.0(2) . .
C25 C24 H24 120.5 . .
C23 C24 H24 120.5 . .
N5 C25 C24 120.37(19) . .
N5 C25 C26 112.33(18) . .
C24 C25 C26 127.29(19) . .
N6 C26 C27 121.93(19) . .
N6 C26 C25 114.02(18) . .
C27 C26 C25 124.04(19) . .
C28 C27 C26 119.0(2) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C27 C28 C29 118.7(2) . .
C27 C28 H28 120.6 . .
C29 C28 H28 120.6 . .
C28 C29 C30 119.6(2) . .
C28 C29 H29 120.2 . .
C30 C29 H29 120.2 . .
N6 C30 C29 121.5(2) . .
N6 C30 H30 119.2 . .
C29 C30 H30 119.2 . .
C32 C31 P1 112.23(14) . .
C32 C31 H31A 109.2 . .
P1 C31 H31A 109.2 . .
C32 C31 H31B 109.2 . .
P1 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
C32 C32 C31 113.6(2) 2_577 .
C32 C32 H32A 108.9 2_577 .
C31 C32 H32A 108.9 . .
C32 C32 H32B 108.9 2_577 .
C31 C32 H32B 108.9 . .
H32A C32 H32B 107.7 . .
C34 C33 C35 111.4(3) . 2_566
C34 C33 P2 111.6(2) . .
C35 C33 P2 108.7(2) 2_566 .
C34 C33 H33A 107.2(16) . .
C35 C33 H33A 109.7(16) 2_566 .
P2 C33 H33A 108.2(16) . .
C33 C34 C35 113.0(3) . .
C33 C34 H34B 109.0 . .
C35 C34 H34B 109.0 . .
C33 C34 H34A 109.0 . .
C35 C34 H34A 109.0 . .
H34B C34 H34A 107.8 . .
C33 C35 C34 110.5(3) 2_566 .
C33 C35 H35B 109.5 2_566 .
C34 C35 H35B 109.5 . .
C33 C35 H35A 109.5 2_566 .
C34 C35 H35A 109.5 . .
H35B C35 H35A 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O2 1.7013(15) .
Mo1 O1 1.7490(15) .
Mo1 O3 1.8876(15) .
Mo1 O15 1.8880(15) .
Mo1 O21 2.2557(15) .
Mo1 O16 2.3671(15) .
Mo2 O4 1.7162(16) .
Mo2 O5 1.7204(16) .
Mo2 O6 1.9247(15) .
Mo2 O3 1.9502(15) .
Mo2 O18 2.2353(15) .
Mo2 O21 2.3015(15) .
Mo3 O7 1.7070(15) .
Mo3 O8 1.7581(15) .
Mo3 O9 1.8814(15) .
Mo3 O6 1.9249(15) .
Mo3 O19 2.2576(15) .
Mo3 O18 2.2989(14) .
Mo4 O10 1.7081(16) .
Mo4 O11 1.7164(16) .
Mo4 O12 1.9336(15) .
Mo4 O9 1.9459(15) .
Mo4 O17 2.2117(15) .
Mo4 O20 2.3299(14) .
Mo5 O14 1.7080(16) .
Mo5 O13 1.7232(16) .
Mo5 O12 1.9033(14) .
Mo5 O15 1.9283(15) .
Mo5 O20 2.1939(15) .
Mo5 O16 2.4676(15) .
Cu1 O1 1.9156(15) .
Cu1 N2 1.9330(18) .
Cu1 N1 2.0124(19) .
Cu1 N3 2.0214(19) .
Cu1 O90 2.2014(18) .
Cu2 O8 1.9020(15) .
Cu2 N5 1.9272(18) .
Cu2 N4 2.0178(18) .
Cu2 N6 2.0345(18) .
Cu2 O13 2.2652(16) 1_455
P1 O17 1.5189(16) .
P1 O16 1.5436(15) .
P1 O18 1.5600(15) .
P1 C31 1.794(2) .
P2 O19 1.5094(15) .
P2 O21 1.5405(16) .
P2 O20 1.5439(15) .
P2 C33 1.772(2) .
O13 Cu2 2.2652(16) 1_655
O90 H90A 0.820(10) .
O90 H90B 0.816(10) .
O91 H91A 0.831(10) .
O91 H91B 0.827(10) .
O92 H92A 0.836(10) .
O92 H92B 0.816(10) .
O93 H93A 0.827(10) .
O93 H93B 0.839(10) .
O94 H94A 0.835(10) .
O94 H94B 0.829(10) .
N1 C1 1.333(3) .
N1 C5 1.357(3) .
N2 C6 1.332(3) .
N2 C10 1.333(3) .
N3 C15 1.339(3) .
N3 C11 1.360(3) .
N4 C16 1.337(3) .
N4 C20 1.352(3) .
N5 C21 1.331(3) .
N5 C25 1.338(3) .
N6 C30 1.341(3) .
N6 C26 1.356(3) .
C1 C2 1.392(3) .
C1 H1 0.9300 .
C2 C3 1.388(3) .
C2 H2 0.9300 .
C3 C4 1.391(3) .
C3 H3 0.9300 .
C4 C5 1.388(3) .
C4 H4 0.9300 .
C5 C6 1.482(3) .
C6 C7 1.387(3) .
C7 C8 1.408(3) .
C7 H7 0.9300 .
C8 C9 1.402(3) .
C8 C23 1.486(3) 1_756
C9 C10 1.387(3) .
C9 H9 0.9300 .
C10 C11 1.486(3) .
C11 C12 1.381(3) .
C12 C13 1.391(3) .
C12 H12 0.9300 .
C13 C14 1.394(3) .
C13 H13 0.9300 .
C14 C15 1.386(3) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.391(3) .
C16 H16 0.9300 .
C17 C18 1.383(3) .
C17 H17 0.9300 .
C18 C19 1.393(3) .
C18 H18 0.9300 .
C19 C20 1.386(3) .
C19 H19 0.9300 .
C20 C21 1.478(3) .
C21 C22 1.393(3) .
C22 C23 1.402(3) .
C22 H22 0.9300 .
C23 C24 1.408(3) .
C23 C8 1.486(3) 1_354
C24 C25 1.390(3) .
C24 H24 0.9300 .
C25 C26 1.483(3) .
C26 C27 1.391(3) .
C27 C28 1.385(3) .
C27 H27 0.9300 .
C28 C29 1.391(3) .
C28 H28 0.9300 .
C29 C30 1.391(3) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.540(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C32 1.518(4) 2_577
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.519(5) .
C33 C35 1.522(5) 2_566
C33 H33A 0.960(10) .
C34 C35 1.529(6) .
C34 H34B 0.9700 .
C34 H34A 0.9700 .
C35 C33 1.522(5) 2_566
C35 H35B 0.9700 .
C35 H35A 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 Mo1 O1 Cu1 51.0(5) . .
O3 Mo1 O1 Cu1 157.8(5) . .
O15 Mo1 O1 Cu1 -49.5(5) . .
O21 Mo1 O1 Cu1 -150.7(4) . .
O16 Mo1 O1 Cu1 -122.8(5) . .
N2 Cu1 O1 Mo1 -113.1(6) . .
N1 Cu1 O1 Mo1 169.9(5) . .
N3 Cu1 O1 Mo1 -23.8(5) . .
O90 Cu1 O1 Mo1 82.2(5) . .
O2 Mo1 O3 Mo2 -78.87(10) . .
O1 Mo1 O3 Mo2 175.22(9) . .
O15 Mo1 O3 Mo2 48.33(16) . .
O21 Mo1 O3 Mo2 4.50(8) . .
O16 Mo1 O3 Mo2 88.65(9) . .
O4 Mo2 O3 Mo1 79.99(10) . .
O5 Mo2 O3 Mo1 -173.90(9) . .
O6 Mo2 O3 Mo1 -52.13(18) . .
O18 Mo2 O3 Mo1 -77.57(9) . .
O21 Mo2 O3 Mo1 -4.46(8) . .
O4 Mo2 O6 Mo3 -151.79(9) . .
O5 Mo2 O6 Mo3 100.65(10) . .
O3 Mo2 O6 Mo3 -19.67(19) . .
O18 Mo2 O6 Mo3 7.12(8) . .
O21 Mo2 O6 Mo3 -64.03(9) . .
O7 Mo3 O6 Mo2 -90.69(10) . .
O8 Mo3 O6 Mo2 164.19(9) . .
O9 Mo3 O6 Mo2 33.70(16) . .
O19 Mo3 O6 Mo2 84.11(9) . .
O18 Mo3 O6 Mo2 -6.98(8) . .
O7 Mo3 O8 Cu2 31.3(7) . .
O9 Mo3 O8 Cu2 -70.1(7) . .
O6 Mo3 O8 Cu2 135.5(7) . .
O19 Mo3 O8 Cu2 -148.1(7) . .
O18 Mo3 O8 Cu2 177.1(5) . .
N5 Cu2 O8 Mo3 56.8(16) . .
N4 Cu2 O8 Mo3 -2.9(7) . .
N6 Cu2 O8 Mo3 164.9(7) . .
O13 Cu2 O8 Mo3 -92.2(7) 1_455 .
O7 Mo3 O9 Mo4 115.20(17) . .
O8 Mo3 O9 Mo4 -140.31(16) . .
O6 Mo3 O9 Mo4 -9.9(2) . .
O19 Mo3 O9 Mo4 -59.92(16) . .
O18 Mo3 O9 Mo4 28.11(16) . .
O10 Mo4 O9 Mo3 -140.23(16) . .
O11 Mo4 O9 Mo3 114.75(17) . .
O12 Mo4 O9 Mo3 -6.5(2) . .
O17 Mo4 O9 Mo3 -58.36(16) . .
O20 Mo4 O9 Mo3 29.67(16) . .
O14 Mo5 O12 Mo4 -155.15(9) . .
O13 Mo5 O12 Mo4 98.26(9) . .
O15 Mo5 O12 Mo4 -26.94(18) . .
O20 Mo5 O12 Mo4 3.33(8) . .
O16 Mo5 O12 Mo4 -68.41(8) . .
O10 Mo4 O12 Mo5 169.75(9) . .
O11 Mo4 O12 Mo5 -84.77(10) . .
O9 Mo4 O12 Mo5 35.26(15) . .
O17 Mo4 O12 Mo5 86.98(9) . .
O20 Mo4 O12 Mo5 -3.20(7) . .
O14 Mo5 O13 Cu2 -42.81(13) . 1_655
O12 Mo5 O13 Cu2 59.82(12) . 1_655
O15 Mo5 O13 Cu2 -143.90(11) . 1_655
O20 Mo5 O13 Cu2 134.46(11) . 1_655
O16 Mo5 O13 Cu2 -179.19(14) . 1_655
O2 Mo1 O15 Mo5 173.71(10) . .
O1 Mo1 O15 Mo5 -81.64(10) . .
O3 Mo1 O15 Mo5 45.01(17) . .
O21 Mo1 O15 Mo5 87.08(9) . .
O16 Mo1 O15 Mo5 3.48(8) . .
O14 Mo5 O15 Mo1 80.43(10) . .
O13 Mo5 O15 Mo1 -173.94(10) . .
O12 Mo5 O15 Mo1 -47.83(18) . .
O20 Mo5 O15 Mo1 -77.16(9) . .
O16 Mo5 O15 Mo1 -3.40(8) . .
O17 P1 O16 Mo1 -147.99(9) . .
O18 P1 O16 Mo1 -26.83(12) . .
C31 P1 O16 Mo1 91.15(12) . .
O17 P1 O16 Mo5 -28.08(12) . .
O18 P1 O16 Mo5 93.08(10) . .
C31 P1 O16 Mo5 -148.94(10) . .
O2 Mo1 O16 P1 82.7(3) . .
O1 Mo1 O16 P1 -125.89(11) . .
O3 Mo1 O16 P1 -25.48(10) . .
O15 Mo1 O16 P1 132.28(11) . .
O21 Mo1 O16 P1 48.75(10) . .
O2 Mo1 O16 Mo5 -51.8(3) . .
O1 Mo1 O16 Mo5 99.63(6) . .
O3 Mo1 O16 Mo5 -159.97(6) . .
O15 Mo1 O16 Mo5 -2.21(5) . .
O21 Mo1 O16 Mo5 -85.74(5) . .
O14 Mo5 O16 P1 125.50(10) . .
O13 Mo5 O16 P1 -96.5(2) . .
O12 Mo5 O16 P1 26.04(10) . .
O15 Mo5 O16 P1 -133.92(11) . .
O20 Mo5 O16 P1 -47.50(9) . .
O14 Mo5 O16 Mo1 -98.39(6) . .
O13 Mo5 O16 Mo1 39.6(2) . .
O12 Mo5 O16 Mo1 162.15(6) . .
O15 Mo5 O16 Mo1 2.20(5) . .
O20 Mo5 O16 Mo1 88.61(5) . .
O16 P1 O17 Mo4 61.48(11) . .
O18 P1 O17 Mo4 -61.04(11) . .
C31 P1 O17 Mo4 -175.36(9) . .
O10 Mo4 O17 P1 178.17(11) . .
O11 Mo4 O17 P1 15.4(5) . .
O12 Mo4 O17 P1 -80.02(10) . .
O9 Mo4 O17 P1 72.94(10) . .
O20 Mo4 O17 P1 -9.82(10) . .
O17 P1 O18 Mo2 171.45(9) . .
O16 P1 O18 Mo2 48.58(13) . .
C31 P1 O18 Mo2 -72.95(12) . .
O17 P1 O18 Mo3 4.24(14) . .
O16 P1 O18 Mo3 -118.64(11) . .
C31 P1 O18 Mo3 119.84(12) . .
O4 Mo2 O18 P1 -107.37(18) . .
O5 Mo2 O18 P1 85.11(11) . .
O6 Mo2 O18 P1 -175.84(12) . .
O3 Mo2 O18 P1 -8.06(11) . .
O21 Mo2 O18 P1 -80.11(11) . .
O4 Mo2 O18 Mo3 63.41(18) . .
O5 Mo2 O18 Mo3 -104.11(7) . .
O6 Mo2 O18 Mo3 -5.06(6) . .
O3 Mo2 O18 Mo3 162.71(6) . .
O21 Mo2 O18 Mo3 90.67(6) . .
O7 Mo3 O18 P1 -82.13(12) . .
O8 Mo3 O18 P1 131.2(3) . .
O9 Mo3 O18 P1 16.57(12) . .
O6 Mo3 O18 P1 175.18(13) . .
O19 Mo3 O18 P1 96.65(12) . .
O7 Mo3 O18 Mo2 107.79(7) . .
O8 Mo3 O18 Mo2 -38.9(3) . .
O9 Mo3 O18 Mo2 -153.50(6) . .
O6 Mo3 O18 Mo2 5.11(6) . .
O19 Mo3 O18 Mo2 -73.42(6) . .
O21 P2 O19 Mo3 61.41(11) . .
O20 P2 O19 Mo3 -62.00(11) . .
C33 P2 O19 Mo3 179.27(9) . .
O7 Mo3 O19 P2 2.6(8) . .
O8 Mo3 O19 P2 176.07(11) . .
O9 Mo3 O19 P2 73.14(10) . .
O6 Mo3 O19 P2 -81.05(10) . .
O18 Mo3 O19 P2 -11.03(10) . .
O19 P2 O20 Mo5 177.38(9) . .
O21 P2 O20 Mo5 53.83(13) . .
C33 P2 O20 Mo5 -63.74(13) . .
O19 P2 O20 Mo4 8.15(15) . .
O21 P2 O20 Mo4 -115.40(12) . .
C33 P2 O20 Mo4 127.04(12) . .
O14 Mo5 O20 P2 -100.81(18) . .
O13 Mo5 O20 P2 86.22(12) . .
O12 Mo5 O20 P2 -174.73(13) . .
O15 Mo5 O20 P2 -9.19(11) . .
O16 Mo5 O20 P2 -81.96(11) . .
O14 Mo5 O20 Mo4 71.55(17) . .
O13 Mo5 O20 Mo4 -101.42(6) . .
O12 Mo5 O20 Mo4 -2.37(5) . .
O15 Mo5 O20 Mo4 163.16(6) . .
O16 Mo5 O20 Mo4 90.39(5) . .
O10 Mo4 O20 P2 137.4(3) . .
O11 Mo4 O20 P2 -82.51(13) . .
O12 Mo4 O20 P2 174.04(14) . .
O9 Mo4 O20 P2 14.93(12) . .
O17 Mo4 O20 P2 94.03(12) . .
O10 Mo4 O20 Mo5 -34.3(3) . .
O11 Mo4 O20 Mo5 105.83(7) . .
O12 Mo4 O20 Mo5 2.39(5) . .
O9 Mo4 O20 Mo5 -156.73(6) . .
O17 Mo4 O20 Mo5 -77.63(6) . .
O19 P2 O21 Mo1 -158.25(9) . .
O20 P2 O21 Mo1 -35.86(12) . .
C33 P2 O21 Mo1 82.72(12) . .
O19 P2 O21 Mo2 -25.61(13) . .
O20 P2 O21 Mo2 96.78(11) . .
C33 P2 O21 Mo2 -144.63(10) . .
O2 Mo1 O21 P2 -113.63(11) . .
O1 Mo1 O21 P2 87.6(3) . .
O3 Mo1 O21 P2 141.23(11) . .
O15 Mo1 O21 P2 -15.60(10) . .
O16 Mo1 O21 P2 59.27(10) . .
O2 Mo1 O21 Mo2 101.88(7) . .
O1 Mo1 O21 Mo2 -56.9(3) . .
O3 Mo1 O21 Mo2 -3.27(6) . .
O15 Mo1 O21 Mo2 -160.09(6) . .
O16 Mo1 O21 Mo2 -85.22(5) . .
O4 Mo2 O21 P2 119.43(11) . .
O5 Mo2 O21 P2 -104.3(2) . .
O6 Mo2 O21 P2 19.96(11) . .
O3 Mo2 O21 P2 -139.85(12) . .
O18 Mo2 O21 P2 -50.49(10) . .
O4 Mo2 O21 Mo1 -97.51(7) . .
O5 Mo2 O21 Mo1 38.8(2) . .
O6 Mo2 O21 Mo1 163.01(6) . .
O3 Mo2 O21 Mo1 3.20(5) . .
O18 Mo2 O21 Mo1 92.56(6) . .
O1 Cu1 N1 C1 -13.1(2) . .
N2 Cu1 N1 C1 178.3(2) . .
N3 Cu1 N1 C1 -154.8(2) . .
O90 Cu1 N1 C1 80.7(2) . .
O1 Cu1 N1 C5 179.34(17) . .
N2 Cu1 N1 C5 10.71(17) . .
N3 Cu1 N1 C5 37.6(3) . .
O90 Cu1 N1 C5 -86.87(17) . .
O1 Cu1 N2 C6 -86.3(4) . .
N1 Cu1 N2 C6 -7.60(17) . .
N3 Cu1 N2 C6 -177.68(18) . .
O90 Cu1 N2 C6 78.30(17) . .
O1 Cu1 N2 C10 94.2(4) . .
N1 Cu1 N2 C10 172.94(18) . .
N3 Cu1 N2 C10 2.86(16) . .
O90 Cu1 N2 C10 -101.16(16) . .
O1 Cu1 N3 C15 7.4(2) . .
N2 Cu1 N3 C15 175.8(2) . .
N1 Cu1 N3 C15 148.8(2) . .
O90 Cu1 N3 C15 -89.6(2) . .
O1 Cu1 N3 C11 -170.48(16) . .
N2 Cu1 N3 C11 -2.17(16) . .
N1 Cu1 N3 C11 -29.1(3) . .
O90 Cu1 N3 C11 92.44(17) . .
O8 Cu2 N4 C16 0.3(2) . .
N5 Cu2 N4 C16 -176.6(2) . .
N6 Cu2 N4 C16 -147.0(2) . .
O13 Cu2 N4 C16 94.59(19) 1_455 .
O8 Cu2 N4 C20 -176.27(15) . .
N5 Cu2 N4 C20 6.85(15) . .
N6 Cu2 N4 C20 36.4(3) . .
O13 Cu2 N4 C20 -81.95(15) 1_455 .
O8 Cu2 N5 C21 -68.5(12) . .
N4 Cu2 N5 C21 -8.29(16) . .
N6 Cu2 N5 C21 -177.13(18) . .
O13 Cu2 N5 C21 80.62(16) 1_455 .
O8 Cu2 N5 C25 117.2(12) . .
N4 Cu2 N5 C25 177.39(18) . .
N6 Cu2 N5 C25 8.55(16) . .
O13 Cu2 N5 C25 -93.70(17) 1_455 .
O8 Cu2 N6 C30 -2.0(2) . .
N5 Cu2 N6 C30 174.6(2) . .
N4 Cu2 N6 C30 144.9(2) . .
O13 Cu2 N6 C30 -99.05(19) 1_455 .
O8 Cu2 N6 C26 175.83(15) . .
N5 Cu2 N6 C26 -7.62(15) . .
N4 Cu2 N6 C26 -37.3(3) . .
O13 Cu2 N6 C26 78.78(16) 1_455 .
C5 N1 C1 C2 0.2(4) . .
Cu1 N1 C1 C2 -166.6(2) . .
N1 C1 C2 C3 1.0(5) . .
C1 C2 C3 C4 -1.1(4) . .
C2 C3 C4 C5 0.1(4) . .
C1 N1 C5 C4 -1.3(4) . .
Cu1 N1 C5 C4 167.02(18) . .
C1 N1 C5 C6 179.7(2) . .
Cu1 N1 C5 C6 -12.0(3) . .
C3 C4 C5 N1 1.1(4) . .
C3 C4 C5 C6 -180.0(2) . .
C10 N2 C6 C7 0.9(3) . .
Cu1 N2 C6 C7 -178.54(17) . .
C10 N2 C6 C5 -177.35(19) . .
Cu1 N2 C6 C5 3.2(2) . .
N1 C5 C6 N2 6.1(3) . .
C4 C5 C6 N2 -172.9(2) . .
N1 C5 C6 C7 -172.1(2) . .
C4 C5 C6 C7 9.0(4) . .
N2 C6 C7 C8 0.0(3) . .
C5 C6 C7 C8 178.0(2) . .
C6 C7 C8 C9 -1.1(3) . .
C6 C7 C8 C23 179.4(2) . 1_756
C7 C8 C9 C10 1.3(3) . .
C23 C8 C9 C10 -179.1(2) 1_756 .
C6 N2 C10 C9 -0.7(3) . .
Cu1 N2 C10 C9 178.78(16) . .
C6 N2 C10 C11 177.67(19) . .
Cu1 N2 C10 C11 -2.9(2) . .
C8 C9 C10 N2 -0.5(3) . .
C8 C9 C10 C11 -178.5(2) . .
C15 N3 C11 C12 0.8(3) . .
Cu1 N3 C11 C12 178.92(16) . .
C15 N3 C11 C10 -176.8(2) . .
Cu1 N3 C11 C10 1.3(2) . .
N2 C10 C11 N3 0.9(3) . .
C9 C10 C11 N3 179.1(2) . .
N2 C10 C11 C12 -176.6(2) . .
C9 C10 C11 C12 1.6(4) . .
N3 C11 C12 C13 -1.9(3) . .
C10 C11 C12 C13 175.4(2) . .
C11 C12 C13 C14 1.9(4) . .
C12 C13 C14 C15 -0.8(4) . .
C11 N3 C15 C14 0.3(4) . .
Cu1 N3 C15 C14 -177.6(2) . .
C13 C14 C15 N3 -0.3(4) . .
C20 N4 C16 C17 -1.5(3) . .
Cu2 N4 C16 C17 -177.90(16) . .
N4 C16 C17 C18 1.3(3) . .
C16 C17 C18 C19 0.3(3) . .
C17 C18 C19 C20 -1.5(3) . .
C16 N4 C20 C19 0.2(3) . .
Cu2 N4 C20 C19 177.09(17) . .
C16 N4 C20 C21 178.50(19) . .
Cu2 N4 C20 C21 -4.6(2) . .
C18 C19 C20 N4 1.3(3) . .
C18 C19 C20 C21 -176.8(2) . .
C25 N5 C21 C22 1.2(3) . .
Cu2 N5 C21 C22 -172.95(16) . .
C25 N5 C21 C20 -177.91(19) . .
Cu2 N5 C21 C20 8.0(2) . .
N4 C20 C21 N5 -1.8(3) . .
C19 C20 C21 N5 176.4(2) . .
N4 C20 C21 C22 179.2(2) . .
C19 C20 C21 C22 -2.6(4) . .
N5 C21 C22 C23 -1.4(3) . .
C20 C21 C22 C23 177.6(2) . .
C21 C22 C23 C24 1.1(3) . .
C21 C22 C23 C8 -177.5(2) . 1_354
C22 C23 C24 C25 -0.7(3) . .
C8 C23 C24 C25 178.0(2) 1_354 .
C21 N5 C25 C24 -0.7(3) . .
Cu2 N5 C25 C24 173.38(17) . .
C21 N5 C25 C26 178.28(19) . .
Cu2 N5 C25 C26 -7.7(2) . .
C23 C24 C25 N5 0.4(3) . .
C23 C24 C25 C26 -178.4(2) . .
C30 N6 C26 C27 2.8(3) . .
Cu2 N6 C26 C27 -175.23(17) . .
C30 N6 C26 C25 -176.16(19) . .
Cu2 N6 C26 C25 5.8(2) . .
N5 C25 C26 N6 0.7(3) . .
C24 C25 C26 N6 179.6(2) . .
N5 C25 C26 C27 -178.2(2) . .
C24 C25 C26 C27 0.7(4) . .
N6 C26 C27 C28 -2.6(3) . .
C25 C26 C27 C28 176.2(2) . .
C26 C27 C28 C29 0.7(3) . .
C27 C28 C29 C30 0.9(3) . .
C26 N6 C30 C29 -1.1(3) . .
Cu2 N6 C30 C29 176.67(16) . .
C28 C29 C30 N6 -0.8(3) . .
O17 P1 C31 C32 61.86(18) . .
O16 P1 C31 C32 -175.16(15) . .
O18 P1 C31 C32 -54.22(18) . .
P1 C31 C32 C32 178.4(2) . 2_577
O19 P2 C33 C34 64.2(2) . .
O21 P2 C33 C34 -175.2(2) . .
O20 P2 C33 C34 -55.0(2) . .
O19 P2 C33 C35 -59.1(2) . 2_566
O21 P2 C33 C35 61.5(2) . 2_566
O20 P2 C33 C35 -178.2(2) . 2_566
C35 C33 C34 C35 -54.9(4) 2_566 .
P2 C33 C34 C35 -176.6(3) . .
C33 C34 C35 C33 54.4(4) . 2_566
