#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/28/1512854.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_1512854
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         'C35 H34 Cu2 Mo5 N6 O23 P2'
_chemical_formula_sum            'C35 H34 Cu2 Mo5 N6 O23 P2'
_chemical_formula_weight         1575.40
_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                98.655(3)
_cell_angle_beta                 95.150(3)
_cell_angle_gamma                117.037(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5271(14)
_cell_length_b                   11.4603(15)
_cell_length_c                   20.941(3)
_cell_measurement_reflns_used    3581
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.18
_cell_volume                     2188.5(5)
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_collection       'Bruker SMART (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_molecular_graphics    'CrystalMaker (Palmer, 2006)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX CCD area 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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22317
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    2.510
_exptl_absorpt_correction_T_max  0.9063
_exptl_absorpt_correction_T_min  0.7527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.391
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.765
_refine_diff_density_min         -2.280
_refine_diff_density_rms         0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         10542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0657P)²+37.7244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                8413
_reflns_number_total             10542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-395-44-57-2.cif
_cod_data_source_block           compound-2
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512854
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 0.52292(7) 0.62523(7) 0.12294(3) 0.00780(14) Uani 1 1 d .
Mo2 Mo 0.80332(7) 0.86110(7) 0.23735(3) 0.00871(14) Uani 1 1 d .
Mo3 Mo 0.87293(7) 0.71952(7) 0.35681(3) 0.00852(14) Uani 1 1 d .
Mo4 Mo 0.59638(7) 0.40604(7) 0.33786(3) 0.01050(15) Uani 1 1 d .
Mo5 Mo 0.40240(7) 0.32688(7) 0.16858(3) 0.00904(14) Uani 1 1 d .
Cu1 Cu 0.38241(10) 0.79337(10) 0.03566(5) 0.00971(19) Uani 1 1 d .
Cu2 Cu 0.82111(10) 0.85988(10) 0.50326(5) 0.0109(2) Uani 1 1 d .
P1 P 0.5118(2) 0.6279(2) 0.28849(10) 0.0091(4) Uani 1 1 d .
P2 P 0.7671(2) 0.5393(2) 0.20133(9) 0.0082(4) Uani 1 1 d .
O1 O 0.3715(6) 0.6418(6) 0.1006(3) 0.0119(11) Uani 1 1 d .
O2 O 0.6100(6) 0.6614(6) 0.0580(3) 0.0128(11) Uani 1 1 d .
O3 O 0.6175(6) 0.7945(5) 0.1854(3) 0.0096(10) Uani 1 1 d .
O4 O 0.9139(6) 0.9207(6) 0.1820(3) 0.0140(12) Uani 1 1 d .
O5 O 0.8205(6) 1.0024(6) 0.2863(3) 0.0130(11) Uani 1 1 d .
O6 O 0.9313(6) 0.8180(6) 0.2913(3) 0.0110(11) Uani 1 1 d .
O7 O 0.8960(6) 0.8445(6) 0.4245(3) 0.0124(11) Uani 1 1 d .
O8 O 1.0196(6) 0.6969(6) 0.3732(3) 0.0141(12) Uani 1 1 d .
O9 O 0.7371(6) 0.5776(6) 0.3914(3) 0.0105(11) Uani 1 1 d .
O10 O 0.4922(6) 0.3392(6) 0.3949(3) 0.0166(12) Uani 1 1 d .
O11 O 0.6948(6) 0.3205(6) 0.3314(3) 0.0178(13) Uani 1 1 d .
O12 O 0.4721(6) 0.3205(6) 0.2540(3) 0.0118(11) Uani 1 1 d .
O13 O 0.3820(6) 0.1821(6) 0.1211(3) 0.0134(11) Uani 1 1 d .
O14 O 0.2277(6) 0.2874(6) 0.1742(3) 0.0150(12) Uani 1 1 d .
O15 O 0.4447(6) 0.4354(6) 0.1024(3) 0.0149(11) Uani 1 1 d P
O16 O 0.4719(6) 0.5493(6) 0.2160(3) 0.0095(10) Uani 1 1 d .
O17 O 0.6730(5) 0.7356(6) 0.3060(3) 0.0096(10) Uani 1 1 d .
O18 O 0.4780(6) 0.5318(6) 0.3341(3) 0.0136(11) Uani 1 1 d .
O19 O 0.7352(6) 0.6450(5) 0.1770(3) 0.0089(10) Uani 1 1 d .
O20 O 0.7607(5) 0.5476(5) 0.2756(3) 0.0092(10) Uani 1 1 d .
O21 O 0.6608(6) 0.3988(6) 0.1632(3) 0.0133(11) Uani 1 1 d .
O90 O 0.4017(6) 0.6776(6) -0.0353(3) 0.0156(12) Uani 1 1 d .
O91 O 0.5809(8) 0.6906(7) 0.4735(3) 0.0315(17) Uani 1 1 d .
N1 N 0.1664(7) 0.7221(7) 0.0140(3) 0.0106(13) Uani 1 1 d .
N2 N 0.3578(7) 0.8987(7) 0.1088(3) 0.0096(12) Uani 1 1 d .
N3 N 0.5903(7) 0.9342(7) 0.0699(3) 0.0122(13) Uani 1 1 d .
N4 N 0.7465(7) 0.9867(7) 0.4841(3) 0.0127(13) Uani 1 1 d .
N5 N 0.7889(8) 0.9139(7) 0.5889(3) 0.0137(14) Uani 1 1 d .
N6 N 0.9004(8) 0.7634(7) 0.5535(3) 0.0159(14) Uani 1 1 d .
C1 C 0.0766(9) 0.6386(9) -0.0405(4) 0.0148(16) Uani 1 1 d .
H1 H 0.1144 0.6033 -0.0732 0.018 Uiso 1 1 calc R
C2 C -0.0701(9) 0.6008(9) -0.0516(4) 0.0163(16) Uani 1 1 d .
H2 H -0.1319 0.5406 -0.0909 0.020 Uiso 1 1 calc R
C3 C -0.1245(9) 0.6535(9) -0.0036(4) 0.0176(17) Uani 1 1 d .
H3 H -0.2245 0.6297 -0.0098 0.021 Uiso 1 1 calc R
C4 C -0.0324(9) 0.7404(9) 0.0529(4) 0.0159(16) Uani 1 1 d .
H4 H -0.0677 0.7773 0.0861 0.019 Uiso 1 1 calc R
C5 C 0.1118(9) 0.7729(8) 0.0605(4) 0.0122(15) Uani 1 1 d .
C6 C 0.2228(9) 0.8664(8) 0.1183(4) 0.0132(15) Uani 1 1 d .
C7 C 0.1986(8) 0.9150(8) 0.1772(4) 0.0097(14) Uani 1 1 d .
H7 H 0.1032 0.8950 0.1835 0.012 Uiso 1 1 calc R
C8 C 0.3178(9) 0.9950(8) 0.2280(4) 0.0123(15) Uani 1 1 d .
C9 C 0.4574(8) 1.0322(8) 0.2165(4) 0.0120(15) Uani 1 1 d .
H9 H 0.5391 1.0896 0.2500 0.014 Uiso 1 1 calc R
C10 C 0.4752(8) 0.9836(8) 0.1547(4) 0.0124(15) Uani 1 1 d .
C11 C 0.6096(8) 1.0123(8) 0.1291(4) 0.0162(15) Uani 1 1 d P
C12 C 0.7462(8) 1.1119(8) 0.1622(4) 0.0121(15) Uani 1 1 d .
H12 H 0.7572 1.1671 0.2032 0.015 Uiso 1 1 calc R
C13 C 0.8677(9) 1.1287(8) 0.1333(4) 0.0151(16) Uani 1 1 d .
H13 H 0.9629 1.1936 0.1549 0.018 Uiso 1 1 calc R
C14 C 0.8446(9) 1.0487(8) 0.0730(4) 0.0148(16) Uani 1 1 d .
H14 H 0.9249 1.0588 0.0524 0.018 Uiso 1 1 calc R
C15 C 0.7064(10) 0.9538(9) 0.0419(4) 0.0162(17) Uani 1 1 d .
H15 H 0.6930 0.9011 -0.0002 0.019 Uiso 1 1 calc R
C16 C 0.7315(9) 1.0189(8) 0.4262(4) 0.0144(16) Uani 1 1 d .
H16 H 0.7557 0.9785 0.3896 0.017 Uiso 1 1 calc R
C17 C 0.6816(9) 1.1097(9) 0.4182(4) 0.0163(17) Uani 1 1 d .
H17 H 0.6704 1.1304 0.3765 0.020 Uiso 1 1 calc R
C18 C 0.6484(9) 1.1697(9) 0.4715(4) 0.0167(17) Uani 1 1 d .
H18 H 0.6163 1.2338 0.4672 0.020 Uiso 1 1 calc R
C19 C 0.6622(9) 1.1355(8) 0.5312(4) 0.0136(15) Uani 1 1 d .
H19 H 0.6392 1.1753 0.5685 0.016 Uiso 1 1 calc R
C20 C 0.7106(8) 1.0413(8) 0.5357(4) 0.0121(15) Uani 1 1 d .
C21 C 0.7262(8) 0.9918(8) 0.5960(4) 0.0118(15) Uani 1 1 d .
C22 C 0.6812(8) 1.0157(8) 0.6546(4) 0.0115(15) Uani 1 1 d .
H22 H 0.6288 1.0646 0.6590 0.014 Uiso 1 1 calc R
C23 C 0.7145(8) 0.9666(8) 0.7064(4) 0.0115(15) Uani 1 1 d .
C24 C 0.7868(8) 0.8906(8) 0.6991(4) 0.0126(15) Uani 1 1 d .
H24 H 0.8136 0.8598 0.7350 0.015 Uiso 1 1 calc R
C25 C 0.8185(8) 0.8615(8) 0.6378(4) 0.0110(15) Uani 1 1 d .
C26 C 0.8823(9) 0.7735(9) 0.6178(4) 0.0145(16) Uani 1 1 d .
C27 C 0.9271(10) 0.7110(9) 0.6589(4) 0.0190(18) Uani 1 1 d .
H27 H 0.9143 0.7190 0.7034 0.023 Uiso 1 1 calc R
C28 C 0.9913(10) 0.6364(10) 0.6339(5) 0.0220(19) Uani 1 1 d .
H28 H 1.0230 0.5925 0.6615 0.026 Uiso 1 1 calc R
C29 C 1.0092(10) 0.6255(10) 0.5700(4) 0.0195(18) Uani 1 1 d .
H29 H 1.0547 0.5756 0.5531 0.023 Uiso 1 1 calc R
C30 C 0.9601(10) 0.6881(9) 0.5300(4) 0.0181(17) Uani 1 1 d .
H30 H 0.9690 0.6774 0.4851 0.022 Uiso 1 1 calc R
C31 C 0.4122(9) 0.7197(8) 0.2976(4) 0.0141(16) Uani 1 1 d .
H31A H 0.4516 0.7825 0.3411 0.017 Uiso 1 1 calc R
H31B H 0.4306 0.7746 0.2639 0.017 Uiso 1 1 calc R
C32 C 0.2475(8) 0.6366(9) 0.2922(4) 0.0145(16) Uani 1 1 d .
H32A H 0.2279 0.5791 0.3248 0.017 Uiso 1 1 calc R
H32B H 0.2070 0.6983 0.3034 0.017 Uiso 1 1 calc R
C33 C 0.1698(9) 0.5482(9) 0.2245(4) 0.0144(16) Uani 1 1 d .
H33A H 0.1934 0.4734 0.2173 0.017 Uiso 1 1 calc R
H33B H 0.2062 0.6015 0.1909 0.017 Uiso 1 1 calc R
C34 C 0.9513(8) 0.5844(8) 0.1941(4) 0.0149(15) Uani 1 1 d P
H34A H 0.9615 0.5874 0.1477 0.018 Uiso 1 1 calc R
H34B H 1.0149 0.6758 0.2209 0.018 Uiso 1 1 calc R
C35 C 1.0045(8) 0.4901(8) 0.2152(4) 0.0131(16) Uani 1 1 d .
H35A H 0.9586 0.4050 0.1818 0.016 Uiso 1 1 calc R
H35B H 0.9728 0.4690 0.2571 0.016 Uiso 1 1 calc R
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 102.0(3) . .
O2 Mo1 O15 98.7(3) . .
O1 Mo1 O15 101.3(2) . .
O2 Mo1 O3 102.8(3) . .
O1 Mo1 O3 93.2(2) . .
O15 Mo1 O3 150.9(2) . .
O2 Mo1 O16 157.5(2) . .
O1 Mo1 O16 99.9(2) . .
O15 Mo1 O16 71.8(2) . .
O3 Mo1 O16 81.0(2) . .
O2 Mo1 O19 86.5(2) . .
O1 Mo1 O19 164.9(2) . .
O15 Mo1 O19 89.6(2) . .
O3 Mo1 O19 72.6(2) . .
O16 Mo1 O19 73.40(18) . .
O5 Mo2 O4 103.8(3) . .
O5 Mo2 O3 101.1(3) . .
O4 Mo2 O3 101.3(3) . .
O5 Mo2 O6 101.9(3) . .
O4 Mo2 O6 97.2(2) . .
O3 Mo2 O6 146.0(2) . .
O5 Mo2 O17 90.0(2) . .
O4 Mo2 O17 164.2(2) . .
O3 Mo2 O17 83.3(2) . .
O6 Mo2 O17 72.0(2) . .
O5 Mo2 O19 168.5(2) . .
O4 Mo2 O19 86.8(2) . .
O3 Mo2 O19 72.1(2) . .
O6 Mo2 O19 80.8(2) . .
O17 Mo2 O19 80.18(19) . .
O8 Mo3 O7 103.7(3) . .
O8 Mo3 O6 98.6(3) . .
O7 Mo3 O6 102.1(3) . .
O8 Mo3 O9 99.1(3) . .
O7 Mo3 O9 93.1(2) . .
O6 Mo3 O9 153.2(2) . .
O8 Mo3 O20 95.4(2) . .
O7 Mo3 O20 158.3(2) . .
O6 Mo3 O20 84.8(2) . .
O9 Mo3 O20 73.6(2) . .
O8 Mo3 O17 165.4(2) . .
O7 Mo3 O17 89.0(2) . .
O6 Mo3 O17 71.4(2) . .
O9 Mo3 O17 87.1(2) . .
O20 Mo3 O17 73.64(19) . .
O10 Mo4 O11 102.4(3) . .
O10 Mo4 O12 106.1(3) . .
O11 Mo4 O12 97.2(3) . .
O10 Mo4 O9 99.9(3) . .
O11 Mo4 O9 102.0(3) . .
O12 Mo4 O9 143.4(2) . .
O10 Mo4 O18 85.5(2) . .
O11 Mo4 O18 172.0(2) . .
O12 Mo4 O18 79.3(2) . .
O9 Mo4 O18 77.5(2) . .
O10 Mo4 O20 166.8(3) . .
O11 Mo4 O20 84.9(2) . .
O12 Mo4 O20 83.5(2) . .
O9 Mo4 O20 67.7(2) . .
O18 Mo4 O20 87.54(19) . .
O13 Mo5 O14 101.9(3) . .
O13 Mo5 O12 103.0(2) . .
O14 Mo5 O12 100.8(3) . .
O13 Mo5 O15 98.1(2) . .
O14 Mo5 O15 103.3(2) . .
O12 Mo5 O15 143.7(2) . .
O13 Mo5 O16 165.4(2) . .
O14 Mo5 O16 88.9(2) . .
O12 Mo5 O16 84.3(2) . .
O15 Mo5 O16 69.5(2) . .
O13 Mo5 O21 81.5(2) . .
O14 Mo5 O21 176.5(3) . .
O12 Mo5 O21 79.0(2) . .
O15 Mo5 O21 75.31(19) . .
O16 Mo5 O21 87.64(19) . .
N2 Cu1 O90 176.3(3) . .
N2 Cu1 N1 80.5(3) . .
O90 Cu1 N1 98.5(3) . .
N2 Cu1 N3 79.8(3) . .
O90 Cu1 N3 102.0(3) . .
N1 Cu1 N3 155.8(3) . .
N2 Cu1 O1 89.1(2) . .
O90 Cu1 O1 87.5(2) . .
N1 Cu1 O1 95.5(2) . .
N3 Cu1 O1 98.2(2) . .
O7 Cu2 N5 166.3(3) . .
O7 Cu2 N4 98.0(3) . .
N5 Cu2 N4 80.3(3) . .
O7 Cu2 N6 99.2(3) . .
N5 Cu2 N6 80.9(3) . .
N4 Cu2 N6 160.7(3) . .
O7 Cu2 O91 102.4(2) . .
N5 Cu2 O91 91.0(3) . .
N4 Cu2 O91 86.6(3) . .
N6 Cu2 O91 98.2(3) . .
O18 P1 O17 110.4(3) . .
O18 P1 O16 109.9(3) . .
O17 P1 O16 111.3(3) . .
O18 P1 C31 111.3(4) . .
O17 P1 C31 105.1(4) . .
O16 P1 C31 108.7(3) . .
O21 P2 O19 111.4(3) . .
O21 P2 O20 109.4(3) . .
O19 P2 O20 110.5(3) . .
O21 P2 C34 112.7(3) . .
O19 P2 C34 106.6(3) . .
O20 P2 C34 106.2(3) . .
Mo1 O1 Cu1 119.9(3) . .
Mo2 O3 Mo1 122.9(3) . .
Mo3 O6 Mo2 123.4(3) . .
Mo3 O7 Cu2 139.4(3) . .
Mo3 O9 Mo4 123.4(3) . .
Mo5 O12 Mo4 151.1(3) . .
Mo1 O15 Mo5 123.1(3) . .
P1 O16 Mo1 130.2(3) . .
P1 O16 Mo5 132.9(3) . .
Mo1 O16 Mo5 95.0(2) . .
P1 O17 Mo2 125.7(3) . .
P1 O17 Mo3 128.5(3) . .
Mo2 O17 Mo3 93.15(18) . .
P1 O18 Mo4 119.9(3) . .
P2 O19 Mo1 130.4(3) . .
P2 O19 Mo2 126.1(3) . .
Mo1 O19 Mo2 92.27(19) . .
P2 O20 Mo3 129.1(3) . .
P2 O20 Mo4 134.5(3) . .
Mo3 O20 Mo4 94.9(2) . .
P2 O21 Mo5 115.5(3) . .
C1 N1 C5 118.4(7) . .
C1 N1 Cu1 127.5(5) . .
C5 N1 Cu1 114.0(5) . .
C10 N2 C6 122.4(7) . .
C10 N2 Cu1 118.2(5) . .
C6 N2 Cu1 118.2(6) . .
C11 N3 C15 119.1(7) . .
C11 N3 Cu1 113.4(5) . .
C15 N3 Cu1 127.5(6) . .
C16 N4 C20 119.6(7) . .
C16 N4 Cu2 126.0(6) . .
C20 N4 Cu2 114.3(5) . .
C21 N5 C25 122.7(7) . .
C21 N5 Cu2 118.6(5) . .
C25 N5 Cu2 118.4(6) . .
C30 N6 C26 118.8(7) . .
C30 N6 Cu2 127.3(6) . .
C26 N6 Cu2 113.7(5) . .
N1 C1 C2 122.6(8) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C1 C2 C3 118.3(8) . .
C1 C2 H2 120.8 . .
C3 C2 H2 120.8 . .
C4 C3 C2 119.5(8) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C3 C4 C5 118.9(8) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
N1 C5 C4 122.3(8) . .
N1 C5 C6 113.3(7) . .
C4 C5 C6 124.4(7) . .
N2 C6 C7 120.6(7) . .
N2 C6 C5 112.5(7) . .
C7 C6 C5 126.9(7) . .
C6 C7 C8 118.6(7) . .
C6 C7 H7 120.7 . .
C8 C7 H7 120.7 . .
C9 C8 C7 120.0(7) . .
C9 C8 C23 123.1(7) . 2_676
C7 C8 C23 116.8(7) . 2_676
C10 C9 C8 118.6(7) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
N2 C10 C9 119.6(7) . .
N2 C10 C11 111.1(7) . .
C9 C10 C11 129.3(7) . .
N3 C11 C12 122.1(7) . .
N3 C11 C10 114.5(7) . .
C12 C11 C10 123.4(7) . .
C11 C12 C13 118.4(8) . .
C11 C12 H12 120.8 . .
C13 C12 H12 120.8 . .
C14 C13 C12 118.2(8) . .
C14 C13 H13 120.9 . .
C12 C13 H13 120.9 . .
C15 C14 C13 120.8(8) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
N3 C15 C14 121.5(8) . .
N3 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
N4 C16 C17 121.7(8) . .
N4 C16 H16 119.1 . .
C17 C16 H16 119.1 . .
C16 C17 C18 119.2(8) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
C19 C18 C17 119.3(8) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 118.7(8) . .
C18 C19 H19 120.6 . .
C20 C19 H19 120.6 . .
N4 C20 C19 121.4(7) . .
N4 C20 C21 113.9(7) . .
C19 C20 C21 124.7(7) . .
N5 C21 C22 119.9(7) . .
N5 C21 C20 112.4(7) . .
C22 C21 C20 127.7(7) . .
C23 C22 C21 118.4(7) . .
C23 C22 H22 120.8 . .
C21 C22 H22 120.8 . .
C22 C23 C24 120.7(7) . .
C22 C23 C8 118.9(7) . 2_676
C24 C23 C8 120.2(7) . 2_676
C25 C24 C23 118.0(7) . .
C25 C24 H24 121.0 . .
C23 C24 H24 121.0 . .
N5 C25 C24 120.0(7) . .
N5 C25 C26 113.1(7) . .
C24 C25 C26 126.9(7) . .
N6 C26 C27 121.6(8) . .
N6 C26 C25 113.5(7) . .
C27 C26 C25 124.8(8) . .
C28 C27 C26 118.4(8) . .
C28 C27 H27 120.8 . .
C26 C27 H27 120.8 . .
C29 C28 C27 120.4(8) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 119.3(8) . .
C28 C29 H29 120.4 . .
C30 C29 H29 120.4 . .
N6 C30 C29 121.5(8) . .
N6 C30 H30 119.3 . .
C29 C30 H30 119.3 . .
C32 C31 P1 116.6(6) . .
C32 C31 H31A 108.2 . .
P1 C31 H31A 108.2 . .
C32 C31 H31B 108.2 . .
P1 C31 H31B 108.2 . .
H31A C31 H31B 107.3 . .
C33 C32 C31 113.8(7) . .
C33 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
C33 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
C32 C33 C35 113.1(7) . 1_455
C32 C33 H33A 109.0 . .
C35 C33 H33A 109.0 1_455 .
C32 C33 H33B 109.0 . .
C35 C33 H33B 109.0 1_455 .
H33A C33 H33B 107.8 . .
C35 C34 P2 114.9(5) . .
C35 C34 H34A 108.5 . .
P2 C34 H34A 108.5 . .
C35 C34 H34B 108.5 . .
P2 C34 H34B 108.5 . .
H34A C34 H34B 107.5 . .
C34 C35 C33 113.5(7) . 1_655
C34 C35 H35A 108.9 . .
C33 C35 H35A 108.9 1_655 .
C34 C35 H35B 108.9 . .
C33 C35 H35B 108.9 1_655 .
H35A C35 H35B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O2 1.705(5) .
Mo1 O1 1.722(5) .
Mo1 O15 1.904(6) .
Mo1 O3 1.927(6) .
Mo1 O16 2.261(5) .
Mo1 O19 2.309(5) .
Mo2 O5 1.705(6) .
Mo2 O4 1.710(5) .
Mo2 O3 1.899(5) .
Mo2 O6 1.958(5) .
Mo2 O17 2.281(5) .
Mo2 O19 2.350(6) .
Mo3 O8 1.693(5) .
Mo3 O7 1.770(6) .
Mo3 O6 1.876(5) .
Mo3 O9 1.908(5) .
Mo3 O20 2.164(6) .
Mo3 O17 2.367(5) .
Mo4 O10 1.722(6) .
Mo4 O11 1.720(6) .
Mo4 O12 1.913(6) .
Mo4 O9 1.926(6) .
Mo4 O18 2.299(5) .
Mo4 O20 2.411(5) .
Mo5 O13 1.711(6) .
Mo5 O14 1.702(6) .
Mo5 O12 1.897(6) .
Mo5 O15 1.948(5) .
Mo5 O16 2.331(6) .
Mo5 O21 2.477(6) .
Cu1 N2 1.915(7) .
Cu1 O90 1.928(6) .
Cu1 N1 2.014(6) .
Cu1 N3 2.017(7) .
Cu1 O1 2.331(5) .
Cu2 O7 1.908(5) .
Cu2 N5 1.919(7) .
Cu2 N4 2.011(7) .
Cu2 N6 2.014(7) .
Cu2 O91 2.332(7) .
P1 O18 1.509(6) .
P1 O17 1.545(6) .
P1 O16 1.557(6) .
P1 C31 1.795(8) .
P2 O21 1.516(6) .
P2 O19 1.538(5) .
P2 O20 1.554(5) .
P2 C34 1.794(7) .
N1 C1 1.331(11) .
N1 C5 1.360(10) .
N2 C10 1.345(10) .
N2 C6 1.339(10) .
N3 C11 1.355(11) .
N3 C15 1.344(11) .
N4 C16 1.335(10) .
N4 C20 1.338(10) .
N5 C21 1.329(10) .
N5 C25 1.344(10) .
N6 C30 1.343(11) .
N6 C26 1.372(10) .
C1 C2 1.387(11) .
C1 H1 0.9500 .
C2 C3 1.392(12) .
C2 H2 0.9500 .
C3 C4 1.376(12) .
C3 H3 0.9500 .
C4 C5 1.375(11) .
C4 H4 0.9500 .
C5 C6 1.482(12) .
C6 C7 1.370(11) .
C7 C8 1.403(11) .
C7 H7 0.9500 .
C8 C9 1.388(11) .
C8 C23 1.494(11) 2_676
C9 C10 1.393(11) .
C9 H9 0.9500 .
C10 C11 1.470(11) .
C11 C12 1.393(11) .
C12 C13 1.411(11) .
C12 H12 0.9500 .
C13 C14 1.375(12) .
C13 H13 0.9500 .
C14 C15 1.379(12) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.386(11) .
C16 H16 0.9500 .
C17 C18 1.377(12) .
C17 H17 0.9500 .
C18 C19 1.379(11) .
C18 H18 0.9500 .
C19 C20 1.400(11) .
C19 H19 0.9500 .
C20 C21 1.484(10) .
C21 C22 1.389(11) .
C22 C23 1.382(11) .
C22 H22 0.9500 .
C23 C24 1.394(11) .
C23 C8 1.494(11) 2_676
C24 C25 1.385(11) .
C24 H24 0.9500 .
C25 C26 1.477(11) .
C26 C27 1.378(11) .
C27 C28 1.384(12) .
C27 H27 0.9500 .
C28 C29 1.363(12) .
C28 H28 0.9500 .
C29 C30 1.386(12) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.535(11) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.520(11) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C35 1.535(10) 1_455
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.526(10) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C33 1.535(10) 1_655
C35 H35A 0.9900 .
C35 H35B 0.9900 .
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 -30.3(4) . .
O15 Mo1 O1 Cu1 -131.9(3) . .
O3 Mo1 O1 Cu1 73.4(3) . .
O16 Mo1 O1 Cu1 154.8(3) . .
O19 Mo1 O1 Cu1 92.7(9) . .
N2 Cu1 O1 Mo1 -112.6(4) . .
O90 Cu1 O1 Mo1 68.8(4) . .
N1 Cu1 O1 Mo1 167.0(4) . .
N3 Cu1 O1 Mo1 -33.0(4) . .
O5 Mo2 O3 Mo1 -174.9(3) . .
O4 Mo2 O3 Mo1 78.4(4) . .
O6 Mo2 O3 Mo1 -43.1(6) . .
O17 Mo2 O3 Mo1 -86.2(3) . .
O19 Mo2 O3 Mo1 -4.4(3) . .
O2 Mo1 O3 Mo2 -77.6(4) . .
O1 Mo1 O3 Mo2 179.3(3) . .
O15 Mo1 O3 Mo2 59.1(6) . .
O16 Mo1 O3 Mo2 79.8(3) . .
O19 Mo1 O3 Mo2 4.5(3) . .
O8 Mo3 O6 Mo2 170.7(4) . .
O7 Mo3 O6 Mo2 -83.2(4) . .
O9 Mo3 O6 Mo2 39.9(7) . .
O20 Mo3 O6 Mo2 76.0(3) . .
O17 Mo3 O6 Mo2 1.5(3) . .
O5 Mo2 O6 Mo3 84.5(4) . .
O4 Mo2 O6 Mo3 -169.7(4) . .
O3 Mo2 O6 Mo3 -47.1(6) . .
O17 Mo2 O6 Mo3 -1.6(3) . .
O19 Mo2 O6 Mo3 -84.2(3) . .
O8 Mo3 O7 Cu2 -103.6(5) . .
O6 Mo3 O7 Cu2 154.2(5) . .
O9 Mo3 O7 Cu2 -3.5(5) . .
O20 Mo3 O7 Cu2 47.5(9) . .
O17 Mo3 O7 Cu2 83.6(5) . .
N5 Cu2 O7 Mo3 157.2(9) . .
N4 Cu2 O7 Mo3 -121.0(5) . .
N6 Cu2 O7 Mo3 67.8(5) . .
O91 Cu2 O7 Mo3 -32.7(5) . .
O8 Mo3 O9 Mo4 -98.8(4) . .
O7 Mo3 O9 Mo4 156.7(3) . .
O6 Mo3 O9 Mo4 31.8(7) . .
O20 Mo3 O9 Mo4 -5.8(3) . .
O17 Mo3 O9 Mo4 67.9(3) . .
O10 Mo4 O9 Mo3 -170.1(3) . .
O11 Mo4 O9 Mo3 84.8(4) . .
O12 Mo4 O9 Mo3 -35.3(6) . .
O18 Mo4 O9 Mo3 -87.1(3) . .
O20 Mo4 O9 Mo3 5.4(3) . .
O13 Mo5 O12 Mo4 140.4(6) . .
O14 Mo5 O12 Mo4 -114.5(7) . .
O15 Mo5 O12 Mo4 16.4(9) . .
O16 Mo5 O12 Mo4 -26.8(6) . .
O21 Mo5 O12 Mo4 61.9(6) . .
O10 Mo4 O12 Mo5 138.2(6) . .
O11 Mo4 O12 Mo5 -116.6(7) . .
O9 Mo4 O12 Mo5 4.9(9) . .
O18 Mo4 O12 Mo5 56.2(6) . .
O20 Mo4 O12 Mo5 -32.5(6) . .
O2 Mo1 O15 Mo5 152.6(3) . .
O1 Mo1 O15 Mo5 -103.2(3) . .
O3 Mo1 O15 Mo5 15.2(6) . .
O16 Mo1 O15 Mo5 -6.4(3) . .
O19 Mo1 O15 Mo5 66.2(3) . .
O13 Mo5 O15 Mo1 -165.6(3) . .
O14 Mo5 O15 Mo1 90.0(4) . .
O12 Mo5 O15 Mo1 -40.3(5) . .
O16 Mo5 O15 Mo1 6.3(3) . .
O21 Mo5 O15 Mo1 -86.7(3) . .
O18 P1 O16 Mo1 -169.3(3) . .
O17 P1 O16 Mo1 -46.6(5) . .
C31 P1 O16 Mo1 68.7(5) . .
O18 P1 O16 Mo5 -9.1(5) . .
O17 P1 O16 Mo5 113.6(4) . .
C31 P1 O16 Mo5 -131.1(4) . .
O2 Mo1 O16 P1 102.1(7) . .
O1 Mo1 O16 P1 -91.2(4) . .
O15 Mo1 O16 P1 170.0(4) . .
O3 Mo1 O16 P1 0.5(4) . .
O19 Mo1 O16 P1 74.8(4) . .
O2 Mo1 O16 Mo5 -63.4(7) . .
O1 Mo1 O16 Mo5 103.2(2) . .
O15 Mo1 O16 Mo5 4.49(18) . .
O3 Mo1 O16 Mo5 -165.1(2) . .
O19 Mo1 O16 Mo5 -90.7(2) . .
O13 Mo5 O16 P1 -135.9(8) . .
O14 Mo5 O16 P1 86.0(4) . .
O12 Mo5 O16 P1 -15.0(4) . .
O15 Mo5 O16 P1 -169.4(5) . .
O21 Mo5 O16 P1 -94.2(4) . .
O13 Mo5 O16 Mo1 29.1(9) . .
O14 Mo5 O16 Mo1 -109.1(2) . .
O12 Mo5 O16 Mo1 149.9(2) . .
O15 Mo5 O16 Mo1 -4.45(18) . .
O21 Mo5 O16 Mo1 70.75(19) . .
O18 P1 O17 Mo2 158.5(3) . .
O16 P1 O17 Mo2 36.1(5) . .
C31 P1 O17 Mo2 -81.4(4) . .
O18 P1 O17 Mo3 27.2(5) . .
O16 P1 O17 Mo3 -95.2(4) . .
C31 P1 O17 Mo3 147.3(4) . .
O5 Mo2 O17 P1 114.6(4) . .
O4 Mo2 O17 P1 -94.3(9) . .
O3 Mo2 O17 P1 13.4(4) . .
O6 Mo2 O17 P1 -142.9(4) . .
O19 Mo2 O17 P1 -59.5(4) . .
O5 Mo2 O17 Mo3 -101.5(2) . .
O4 Mo2 O17 Mo3 49.6(9) . .
O3 Mo2 O17 Mo3 157.4(2) . .
O6 Mo2 O17 Mo3 1.0(2) . .
O19 Mo2 O17 Mo3 84.47(19) . .
O8 Mo3 O17 P1 93.5(10) . .
O7 Mo3 O17 P1 -115.6(4) . .
O6 Mo3 O17 P1 141.2(4) . .
O9 Mo3 O17 P1 -22.5(4) . .
O20 Mo3 O17 P1 51.3(4) . .
O8 Mo3 O17 Mo2 -48.9(10) . .
O7 Mo3 O17 Mo2 102.1(2) . .
O6 Mo3 O17 Mo2 -1.1(2) . .
O9 Mo3 O17 Mo2 -164.8(2) . .
O20 Mo3 O17 Mo2 -91.0(2) . .
O17 P1 O18 Mo4 -60.8(4) . .
O16 P1 O18 Mo4 62.4(4) . .
C31 P1 O18 Mo4 -177.1(4) . .
O10 Mo4 O18 P1 -179.0(4) . .
O11 Mo4 O18 P1 -8(2) . .
O12 Mo4 O18 P1 -71.7(4) . .
O9 Mo4 O18 P1 79.8(4) . .
O20 Mo4 O18 P1 12.1(4) . .
O21 P2 O19 Mo1 23.8(5) . .
O20 P2 O19 Mo1 -98.0(4) . .
C34 P2 O19 Mo1 147.1(4) . .
O21 P2 O19 Mo2 157.0(3) . .
O20 P2 O19 Mo2 35.2(4) . .
C34 P2 O19 Mo2 -79.7(4) . .
O2 Mo1 O19 P2 -114.6(4) . .
O1 Mo1 O19 P2 120.6(8) . .
O15 Mo1 O19 P2 -15.9(4) . .
O3 Mo1 O19 P2 140.8(4) . .
O16 Mo1 O19 P2 55.3(4) . .
O2 Mo1 O19 Mo2 101.5(2) . .
O1 Mo1 O19 Mo2 -23.3(9) . .
O15 Mo1 O19 Mo2 -159.7(2) . .
O3 Mo1 O19 Mo2 -3.04(19) . .
O16 Mo1 O19 Mo2 -88.6(2) . .
O5 Mo2 O19 P2 -88.6(12) . .
O4 Mo2 O19 P2 113.9(4) . .
O3 Mo2 O19 P2 -143.1(4) . .
O6 Mo2 O19 P2 16.1(4) . .
O17 Mo2 O19 P2 -57.1(4) . .
O5 Mo2 O19 Mo1 57.6(12) . .
O4 Mo2 O19 Mo1 -99.9(2) . .
O3 Mo2 O19 Mo1 3.09(19) . .
O6 Mo2 O19 Mo1 162.3(2) . .
O17 Mo2 O19 Mo1 89.13(19) . .
O21 P2 O20 Mo3 -176.0(3) . .
O19 P2 O20 Mo3 -53.0(4) . .
C34 P2 O20 Mo3 62.2(5) . .
O21 P2 O20 Mo4 -13.3(5) . .
O19 P2 O20 Mo4 109.7(4) . .
C34 P2 O20 Mo4 -135.1(4) . .
O8 Mo3 O20 P2 -90.5(4) . .
O7 Mo3 O20 P2 117.6(6) . .
O6 Mo3 O20 P2 7.7(4) . .
O9 Mo3 O20 P2 171.6(4) . .
O17 Mo3 O20 P2 79.8(4) . .
O8 Mo3 O20 Mo4 101.8(2) . .
O7 Mo3 O20 Mo4 -50.1(7) . .
O6 Mo3 O20 Mo4 -160.0(2) . .
O9 Mo3 O20 Mo4 3.91(19) . .
O17 Mo3 O20 Mo4 -87.94(19) . .
O10 Mo4 O20 P2 -151.2(9) . .
O11 Mo4 O20 P2 84.1(4) . .
O12 Mo4 O20 P2 -13.7(4) . .
O9 Mo4 O20 P2 -170.7(5) . .
O18 Mo4 O20 P2 -93.2(4) . .
O10 Mo4 O20 Mo3 15.4(11) . .
O11 Mo4 O20 Mo3 -109.3(3) . .
O12 Mo4 O20 Mo3 152.9(2) . .
O9 Mo4 O20 Mo3 -4.0(2) . .
O18 Mo4 O20 Mo3 73.4(2) . .
O19 P2 O21 Mo5 -59.5(4) . .
O20 P2 O21 Mo5 62.9(4) . .
C34 P2 O21 Mo5 -179.2(3) . .
O13 Mo5 O21 P2 -178.3(4) . .
O14 Mo5 O21 P2 14(4) . .
O12 Mo5 O21 P2 -73.2(3) . .
O15 Mo5 O21 P2 80.9(3) . .
O16 Mo5 O21 P2 11.5(3) . .
N2 Cu1 N1 C1 172.6(7) . .
O90 Cu1 N1 C1 -11.0(7) . .
N3 Cu1 N1 C1 136.4(7) . .
O1 Cu1 N1 C1 -99.3(7) . .
N2 Cu1 N1 C5 -4.0(5) . .
O90 Cu1 N1 C5 172.4(5) . .
N3 Cu1 N1 C5 -40.2(9) . .
O1 Cu1 N1 C5 84.1(5) . .
O90 Cu1 N2 C10 103(4) . .
N1 Cu1 N2 C10 177.7(6) . .
N3 Cu1 N2 C10 -16.6(6) . .
O1 Cu1 N2 C10 81.9(6) . .
O90 Cu1 N2 C6 -64(4) . .
N1 Cu1 N2 C6 10.2(6) . .
N3 Cu1 N2 C6 176.0(6) . .
O1 Cu1 N2 C6 -85.5(6) . .
N2 Cu1 N3 C11 10.1(5) . .
O90 Cu1 N3 C11 -166.6(5) . .
N1 Cu1 N3 C11 46.4(9) . .
O1 Cu1 N3 C11 -77.5(5) . .
N2 Cu1 N3 C15 -172.3(7) . .
O90 Cu1 N3 C15 10.9(7) . .
N1 Cu1 N3 C15 -136.0(7) . .
O1 Cu1 N3 C15 100.1(7) . .
O7 Cu2 N4 C16 12.4(7) . .
N5 Cu2 N4 C16 178.6(7) . .
N6 Cu2 N4 C16 165.1(8) . .
O91 Cu2 N4 C16 -89.7(7) . .
O7 Cu2 N4 C20 -167.4(6) . .
N5 Cu2 N4 C20 -1.1(6) . .
N6 Cu2 N4 C20 -14.6(12) . .
O91 Cu2 N4 C20 90.5(6) . .
O7 Cu2 N5 C21 89.6(13) . .
N4 Cu2 N5 C21 5.6(6) . .
N6 Cu2 N5 C21 -178.9(7) . .
O91 Cu2 N5 C21 -80.7(6) . .
O7 Cu2 N5 C25 -96.4(12) . .
N4 Cu2 N5 C25 179.6(7) . .
N6 Cu2 N5 C25 -4.8(6) . .
O91 Cu2 N5 C25 93.3(6) . .
O7 Cu2 N6 C30 -12.3(8) . .
N5 Cu2 N6 C30 -178.5(8) . .
N4 Cu2 N6 C30 -165.0(8) . .
O91 Cu2 N6 C30 91.8(8) . .
O7 Cu2 N6 C26 171.2(6) . .
N5 Cu2 N6 C26 5.0(6) . .
N4 Cu2 N6 C26 18.5(13) . .
O91 Cu2 N6 C26 -84.8(6) . .
C5 N1 C1 C2 -0.4(12) . .
Cu1 N1 C1 C2 -176.8(6) . .
N1 C1 C2 C3 0.3(13) . .
C1 C2 C3 C4 -0.1(13) . .
C2 C3 C4 C5 0.0(13) . .
C1 N1 C5 C4 0.2(11) . .
Cu1 N1 C5 C4 177.1(6) . .
C1 N1 C5 C6 -178.9(7) . .
Cu1 N1 C5 C6 -2.0(8) . .
C3 C4 C5 N1 0.0(12) . .
C3 C4 C5 C6 179.0(8) . .
C10 N2 C6 C7 -2.9(12) . .
Cu1 N2 C6 C7 164.0(6) . .
C10 N2 C6 C5 179.2(7) . .
Cu1 N2 C6 C5 -13.9(9) . .
N1 C5 C6 N2 9.9(9) . .
C4 C5 C6 N2 -169.2(7) . .
N1 C5 C6 C7 -167.9(8) . .
C4 C5 C6 C7 13.0(13) . .
N2 C6 C7 C8 -2.4(12) . .
C5 C6 C7 C8 175.2(7) . .
C6 C7 C8 C9 5.1(11) . .
C6 C7 C8 C23 -173.4(7) . 2_676
C7 C8 C9 C10 -2.8(11) . .
C23 C8 C9 C10 175.7(7) 2_676 .
C6 N2 C10 C9 5.3(11) . .
Cu1 N2 C10 C9 -161.6(6) . .
C6 N2 C10 C11 -174.1(7) . .
Cu1 N2 C10 C11 19.0(8) . .
C8 C9 C10 N2 -2.4(11) . .
C8 C9 C10 C11 176.9(8) . .
C15 N3 C11 C12 -0.4(11) . .
Cu1 N3 C11 C12 177.4(6) . .
C15 N3 C11 C10 179.2(7) . .
Cu1 N3 C11 C10 -3.0(8) . .
N2 C10 C11 N3 -9.6(9) . .
C9 C10 C11 N3 171.1(8) . .
N2 C10 C11 C12 170.0(7) . .
C9 C10 C11 C12 -9.3(13) . .
N3 C11 C12 C13 -1.6(11) . .
C10 C11 C12 C13 178.9(7) . .
C11 C12 C13 C14 2.0(11) . .
C12 C13 C14 C15 -0.6(12) . .
C11 N3 C15 C14 1.9(11) . .
Cu1 N3 C15 C14 -175.5(6) . .
C13 C14 C15 N3 -1.4(12) . .
C20 N4 C16 C17 1.1(12) . .
Cu2 N4 C16 C17 -178.7(6) . .
N4 C16 C17 C18 0.9(13) . .
C16 C17 C18 C19 -1.6(13) . .
C17 C18 C19 C20 0.4(13) . .
C16 N4 C20 C19 -2.3(12) . .
Cu2 N4 C20 C19 177.5(6) . .
C16 N4 C20 C21 177.3(7) . .
Cu2 N4 C20 C21 -2.9(9) . .
C18 C19 C20 N4 1.6(12) . .
C18 C19 C20 C21 -178.0(8) . .
C25 N5 C21 C22 -3.6(12) . .
Cu2 N5 C21 C22 170.1(6) . .
C25 N5 C21 C20 177.7(7) . .
Cu2 N5 C21 C20 -8.5(9) . .
N4 C20 C21 N5 7.2(10) . .
C19 C20 C21 N5 -173.2(8) . .
N4 C20 C21 C22 -171.3(8) . .
C19 C20 C21 C22 8.3(13) . .
N5 C21 C22 C23 5.5(12) . .
C20 C21 C22 C23 -176.1(8) . .
C21 C22 C23 C24 -2.3(12) . .
C21 C22 C23 C8 172.9(7) . 2_676
C22 C23 C24 C25 -2.7(12) . .
C8 C23 C24 C25 -177.9(7) 2_676 .
C21 N5 C25 C24 -1.6(12) . .
Cu2 N5 C25 C24 -175.4(6) . .
C21 N5 C25 C26 177.5(7) . .
Cu2 N5 C25 C26 3.7(9) . .
C23 C24 C25 N5 4.7(12) . .
C23 C24 C25 C26 -174.3(8) . .
C30 N6 C26 C27 1.6(13) . .
Cu2 N6 C26 C27 178.5(7) . .
C30 N6 C26 C25 178.8(8) . .
Cu2 N6 C26 C25 -4.4(9) . .
N5 C25 C26 N6 0.7(11) . .
C24 C25 C26 N6 179.7(8) . .
N5 C25 C26 C27 177.7(8) . .
C24 C25 C26 C27 -3.3(14) . .
N6 C26 C27 C28 -0.2(14) . .
C25 C26 C27 C28 -177.0(8) . .
C26 C27 C28 C29 0.0(15) . .
C27 C28 C29 C30 -1.1(15) . .
C26 N6 C30 C29 -2.8(14) . .
Cu2 N6 C30 C29 -179.2(7) . .
C28 C29 C30 N6 2.6(15) . .
O18 P1 C31 C32 -52.5(7) . .
O17 P1 C31 C32 -172.1(6) . .
O16 P1 C31 C32 68.6(7) . .
P1 C31 C32 C33 -65.4(9) . .
C31 C32 C33 C35 -167.3(7) . 1_455
O21 P2 C34 C35 -56.9(7) . .
O19 P2 C34 C35 -179.3(6) . .
O20 P2 C34 C35 62.9(6) . .
P2 C34 C35 C33 -165.9(6) . 1_655
