#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/28/1512859.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_1512859
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         'C20 H24 Cu F2 Mo N3 O8 P2, O'
_chemical_formula_sum            'C20 H24 Cu F2 Mo N3 O9 P2'
_chemical_formula_weight         709.84
_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                92.471(2)
_cell_angle_beta                 103.8410(10)
_cell_angle_gamma                115.6630(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2086(5)
_cell_length_b                   9.6673(6)
_cell_length_c                   15.8062(9)
_cell_measurement_reflns_used    1302
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      23.79
_cell_measurement_theta_min      2.52
_cell_volume                     1214.05(12)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12696
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    1.598
_exptl_absorpt_correction_T_max  0.9536
_exptl_absorpt_correction_T_min  0.8566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.948
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5863
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0527P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1079
_refine_ls_wR_factor_ref         0.1182
_reflns_number_gt                4430
_reflns_number_total             5863
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-395-44-57-7.cif
_cod_data_source_block           compound-7.2H2O
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512859
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 0.45722(5) 0.34597(5) 0.34198(3) 0.01140(11) Uani 1 1 d .
Cu1 Cu 0.03641(7) -0.06437(6) 0.28754(4) 0.00980(14) Uani 1 1 d .
P1 P 0.07568(15) 0.21177(14) 0.17793(8) 0.0101(2) Uani 1 1 d .
P2 P 0.56398(15) 0.24767(14) 0.16463(8) 0.0100(2) Uani 1 1 d .
F1 F 0.2866(3) 0.1249(3) 0.34769(18) 0.0137(6) Uani 1 1 d .
F2 F 0.5983(4) 0.3361(4) 0.4309(2) 0.0280(7) Uani 1 1 d .
O1 O -0.0080(4) 0.0414(4) 0.1904(2) 0.0108(6) Uani 1 1 d .
O2 O 0.3407(4) 0.4105(3) 0.40149(19) 0.0072(6) Uani 1 1 d .
O3 O 0.5739(4) 0.5276(4) 0.3157(2) 0.0109(7) Uani 1 1 d .
O4 O 0.2590(4) 0.3043(4) 0.2265(2) 0.0122(7) Uani 1 1 d .
O5 O -0.0164(4) 0.3011(4) 0.2077(2) 0.0148(7) Uani 1 1 d .
H5 H -0.1199 0.2525 0.1817 0.022 Uiso 1 1 calc R
O6 O 0.5269(4) 0.2384(4) 0.2537(2) 0.0114(7) Uani 1 1 d .
O7 O 0.3894(4) 0.1758(4) 0.0922(2) 0.0143(7) Uani 1 1 d .
H7 H 0.4047 0.1827 0.0419 0.021 Uiso 1 1 calc R
O8 O 0.6620(4) 0.1622(4) 0.1514(2) 0.0134(7) Uani 1 1 d .
O90 O 0.6599(4) 0.9057(4) 0.0757(2) 0.0204(8) Uani 1 1 d .
N1 N 0.1638(5) -0.1623(4) 0.2407(3) 0.0103(8) Uani 1 1 d .
N2 N 0.0242(5) -0.2191(4) 0.3638(2) 0.0091(7) Uani 1 1 d .
N3 N -0.1240(5) -0.0477(4) 0.3524(3) 0.0104(8) Uani 1 1 d .
C1 C 0.2337(6) -0.1220(5) 0.1752(3) 0.0153(10) Uani 1 1 d .
H1 H 0.2115 -0.0513 0.1410 0.018 Uiso 1 1 calc R
C2 C 0.3375(6) -0.1795(5) 0.1552(3) 0.0149(10) Uani 1 1 d .
H2 H 0.3837 -0.1503 0.1072 0.018 Uiso 1 1 calc R
C3 C 0.3733(6) -0.2799(6) 0.2058(3) 0.0160(10) Uani 1 1 d .
H3 H 0.4468 -0.3184 0.1942 0.019 Uiso 1 1 calc R
C4 C 0.3001(6) -0.3237(5) 0.2740(3) 0.0148(10) Uani 1 1 d .
H4 H 0.3217 -0.3934 0.3094 0.018 Uiso 1 1 calc R
C5 C 0.1953(6) -0.2637(5) 0.2892(3) 0.0118(9) Uani 1 1 d .
C6 C 0.1062(6) -0.3032(5) 0.3579(3) 0.0100(9) Uani 1 1 d .
C7 C 0.0996(6) -0.4146(5) 0.4104(3) 0.0117(9) Uani 1 1 d .
H7A H 0.1587 -0.4730 0.4059 0.014 Uiso 1 1 calc R
C8 C 0.0050(6) -0.4404(5) 0.4702(3) 0.0099(9) Uani 1 1 d .
C9 C -0.0820(6) -0.3531(5) 0.4742(3) 0.0109(9) Uani 1 1 d .
H9 H -0.1482 -0.3690 0.5140 0.013 Uiso 1 1 calc R
C10 C -0.0700(5) -0.2437(5) 0.4192(3) 0.0087(9) Uani 1 1 d .
C11 C -0.1569(6) -0.1442(5) 0.4123(3) 0.0089(9) Uani 1 1 d .
C12 C -0.2646(6) -0.1517(5) 0.4614(3) 0.0148(10) Uani 1 1 d .
H12 H -0.2851 -0.2212 0.5028 0.018 Uiso 1 1 calc R
C13 C -0.3429(6) -0.0557(6) 0.4493(3) 0.0178(11) Uani 1 1 d .
H13 H -0.4165 -0.0576 0.4828 0.021 Uiso 1 1 calc R
C14 C -0.3114(6) 0.0417(6) 0.3880(3) 0.0179(10) Uani 1 1 d .
H14 H -0.3642 0.1073 0.3781 0.021 Uiso 1 1 calc R
C15 C -0.2014(6) 0.0434(6) 0.3404(3) 0.0161(10) Uani 1 1 d .
H15 H -0.1803 0.1111 0.2982 0.019 Uiso 1 1 calc R
C16 C 0.0519(6) 0.2156(6) 0.0616(3) 0.0135(9) Uani 1 1 d .
H16A H 0.0869 0.1424 0.0377 0.016 Uiso 1 1 calc R
H16B H -0.0680 0.1805 0.0301 0.016 Uiso 1 1 calc R
C17 C 0.1571(7) 0.3787(6) 0.0446(3) 0.0176(10) Uani 1 1 d .
H17A H 0.1034 0.4448 0.0546 0.021 Uiso 1 1 calc R
H17B H 0.2697 0.4240 0.0882 0.021 Uiso 1 1 calc R
C18 C 0.1785(7) 0.3836(6) -0.0478(3) 0.0192(11) Uani 1 1 d .
H18A H 0.2276 0.3141 -0.0593 0.023 Uiso 1 1 calc R
H18B H 0.0667 0.3441 -0.0916 0.023 Uiso 1 1 calc R
C19 C 0.6782(6) 0.4451(5) 0.1518(3) 0.0153(10) Uani 1 1 d .
H19A H 0.6140 0.5024 0.1588 0.018 Uiso 1 1 calc R
H19B H 0.7873 0.4952 0.1984 0.018 Uiso 1 1 calc R
C20 C 0.7096(6) 0.4540(6) 0.0600(3) 0.0156(10) Uani 1 1 d .
H20A H 0.7616 0.3860 0.0508 0.019 Uiso 1 1 calc R
H20B H 0.6001 0.4130 0.0141 0.019 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'
F F 0.0171 0.0103 '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
F2 Mo1 O3 102.35(15) . .
F2 Mo1 O2 98.95(14) . .
O3 Mo1 O2 95.89(14) . .
F2 Mo1 F1 89.07(13) . .
O3 Mo1 F1 168.22(13) . .
O2 Mo1 F1 85.02(12) . .
F2 Mo1 O6 92.28(14) . .
O3 Mo1 O6 90.81(14) . .
O2 Mo1 O6 165.36(13) . .
F1 Mo1 O6 85.81(12) . .
F2 Mo1 O4 167.45(14) . .
O3 Mo1 O4 88.73(13) . .
O2 Mo1 O4 85.58(13) . .
F1 Mo1 O4 79.63(11) . .
O6 Mo1 O4 81.56(12) . .
O1 Cu1 N2 163.92(15) . .
O1 Cu1 N1 99.78(14) . .
N2 Cu1 N1 79.06(15) . .
O1 Cu1 N3 98.68(14) . .
N2 Cu1 N3 79.53(15) . .
N1 Cu1 N3 157.29(15) . .
O1 Cu1 F1 92.84(12) . .
N2 Cu1 F1 102.89(13) . .
N1 Cu1 F1 83.23(13) . .
N3 Cu1 F1 108.96(13) . .
O4 P1 O1 116.08(18) . .
O4 P1 O5 106.77(19) . .
O1 P1 O5 110.38(18) . .
O4 P1 C16 108.1(2) . .
O1 P1 C16 108.1(2) . .
O5 P1 C16 107.1(2) . .
O8 P2 O6 112.78(18) . .
O8 P2 O7 110.37(19) . .
O6 P2 O7 106.53(18) . .
O8 P2 C19 108.4(2) . .
O6 P2 C19 111.1(2) . .
O7 P2 C19 107.5(2) . .
Mo1 F1 Cu1 145.60(14) . .
P1 O1 Cu1 132.4(2) . .
P1 O4 Mo1 147.2(2) . .
P1 O5 H5 109.5 . .
P2 O6 Mo1 141.9(2) . .
P2 O7 H7 109.5 . .
C1 N1 C5 118.7(4) . .
C1 N1 Cu1 126.0(3) . .
C5 N1 Cu1 114.7(3) . .
C10 N2 C6 120.9(4) . .
C10 N2 Cu1 119.5(3) . .
C6 N2 Cu1 119.5(3) . .
C15 N3 C11 117.9(4) . .
C15 N3 Cu1 127.8(3) . .
C11 N3 Cu1 114.3(3) . .
N1 C1 C2 122.4(4) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C3 C2 C1 119.1(4) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 119.1(4) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 118.6(4) . .
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
N1 C5 C4 122.1(4) . .
N1 C5 C6 113.6(4) . .
C4 C5 C6 124.3(4) . .
N2 C6 C7 121.2(4) . .
N2 C6 C5 112.3(4) . .
C7 C6 C5 126.5(4) . .
C6 C7 C8 119.1(4) . .
C6 C7 H7A 120.4 . .
C8 C7 H7A 120.4 . .
C7 C8 C9 118.8(4) . .
C7 C8 C8 121.2(5) . 2_546
C9 C8 C8 120.0(5) . 2_546
C10 C9 C8 118.9(4) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
N2 C10 C9 121.1(4) . .
N2 C10 C11 112.4(4) . .
C9 C10 C11 126.5(4) . .
N3 C11 C12 122.8(4) . .
N3 C11 C10 114.2(4) . .
C12 C11 C10 123.0(4) . .
C11 C12 C13 118.9(4) . .
C11 C12 H12 120.5 . .
C13 C12 H12 120.5 . .
C14 C13 C12 118.7(5) . .
C14 C13 H13 120.6 . .
C12 C13 H13 120.6 . .
C13 C14 C15 119.4(4) . .
C13 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
N3 C15 C14 122.2(4) . .
N3 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
C17 C16 P1 111.5(3) . .
C17 C16 H16A 109.3 . .
P1 C16 H16A 109.3 . .
C17 C16 H16B 109.3 . .
P1 C16 H16B 109.3 . .
H16A C16 H16B 108.0 . .
C18 C17 C16 114.3(4) . .
C18 C17 H17A 108.7 . .
C16 C17 H17A 108.7 . .
C18 C17 H17B 108.7 . .
C16 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
C20 C18 C17 112.3(4) 2_665 .
C20 C18 H18A 109.1 2_665 .
C17 C18 H18A 109.1 . .
C20 C18 H18B 109.1 2_665 .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.9 . .
C20 C19 P2 110.9(3) . .
C20 C19 H19A 109.5 . .
P2 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
P2 C19 H19B 109.5 . .
H19A C19 H19B 108.0 . .
C18 C20 C19 113.9(4) 2_665 .
C18 C20 H20A 108.8 2_665 .
C19 C20 H20A 108.8 . .
C18 C20 H20B 108.8 2_665 .
C19 C20 H20B 108.8 . .
H20A C20 H20B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 F2 1.708(3) .
Mo1 O3 1.747(3) .
Mo1 O2 1.854(3) .
Mo1 F1 2.055(3) .
Mo1 O6 2.079(3) .
Mo1 O4 2.128(3) .
Cu1 O1 1.941(3) .
Cu1 N2 1.943(4) .
Cu1 N1 2.035(4) .
Cu1 N3 2.043(4) .
Cu1 F1 2.170(3) .
P1 O4 1.501(3) .
P1 O1 1.532(3) .
P1 O5 1.574(3) .
P1 C16 1.804(5) .
P2 O8 1.504(3) .
P2 O6 1.524(3) .
P2 O7 1.569(3) .
P2 C19 1.785(5) .
O5 H5 0.8400 .
O7 H7 0.8400 .
N1 C1 1.332(6) .
N1 C5 1.355(6) .
N2 C10 1.334(6) .
N2 C6 1.341(6) .
N3 C15 1.347(6) .
N3 C11 1.352(5) .
C1 C2 1.382(6) .
C1 H1 0.9500 .
C2 C3 1.381(7) .
C2 H2 0.9500 .
C3 C4 1.391(7) .
C3 H3 0.9500 .
C4 C5 1.382(7) .
C4 H4 0.9500 .
C5 C6 1.480(6) .
C6 C7 1.377(6) .
C7 C8 1.393(6) .
C7 H7A 0.9500 .
C8 C9 1.401(6) .
C8 C8 1.506(8) 2_546
C9 C10 1.383(6) .
C9 H9 0.9500 .
C10 C11 1.487(6) .
C11 C12 1.379(6) .
C12 C13 1.396(7) .
C12 H12 0.9500 .
C13 C14 1.373(7) .
C13 H13 0.9500 .
C14 C15 1.395(7) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.527(6) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.521(6) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C20 1.510(6) 2_665
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.545(6) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C18 1.510(6) 2_665
C20 H20A 0.9900 .
C20 H20B 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
F2 Mo1 F1 Cu1 -178.4(3) . .
O3 Mo1 F1 Cu1 -12.4(8) . .
O2 Mo1 F1 Cu1 82.5(3) . .
O6 Mo1 F1 Cu1 -86.1(3) . .
O4 Mo1 F1 Cu1 -3.9(2) . .
O1 Cu1 F1 Mo1 5.1(3) . .
N2 Cu1 F1 Mo1 -178.2(2) . .
N1 Cu1 F1 Mo1 104.7(3) . .
N3 Cu1 F1 Mo1 -95.0(3) . .
O4 P1 O1 Cu1 29.2(3) . .
O5 P1 O1 Cu1 -92.4(3) . .
C16 P1 O1 Cu1 150.7(3) . .
N2 Cu1 O1 P1 174.5(4) . .
N1 Cu1 O1 P1 -101.1(3) . .
N3 Cu1 O1 P1 92.2(3) . .
F1 Cu1 O1 P1 -17.5(3) . .
O1 P1 O4 Mo1 -34.4(4) . .
O5 P1 O4 Mo1 89.2(4) . .
C16 P1 O4 Mo1 -155.9(4) . .
F2 Mo1 O4 P1 46.6(9) . .
O3 Mo1 O4 P1 -161.2(4) . .
O2 Mo1 O4 P1 -65.2(4) . .
F1 Mo1 O4 P1 20.6(4) . .
O6 Mo1 O4 P1 107.8(4) . .
O8 P2 O6 Mo1 161.5(3) . .
O7 P2 O6 Mo1 -77.3(3) . .
C19 P2 O6 Mo1 39.5(4) . .
F2 Mo1 O6 P2 -137.7(3) . .
O3 Mo1 O6 P2 -35.3(3) . .
O2 Mo1 O6 P2 82.1(6) . .
F1 Mo1 O6 P2 133.4(3) . .
O4 Mo1 O6 P2 53.3(3) . .
O1 Cu1 N1 C1 16.8(4) . .
N2 Cu1 N1 C1 -179.6(4) . .
N3 Cu1 N1 C1 160.7(4) . .
F1 Cu1 N1 C1 -75.0(4) . .
O1 Cu1 N1 C5 -171.7(3) . .
N2 Cu1 N1 C5 -8.0(3) . .
N3 Cu1 N1 C5 -27.8(6) . .
F1 Cu1 N1 C5 96.5(3) . .
O1 Cu1 N2 C10 -85.6(6) . .
N1 Cu1 N2 C10 -173.0(4) . .
N3 Cu1 N2 C10 -0.6(3) . .
F1 Cu1 N2 C10 106.6(3) . .
O1 Cu1 N2 C6 92.2(6) . .
N1 Cu1 N2 C6 4.8(3) . .
N3 Cu1 N2 C6 177.2(4) . .
F1 Cu1 N2 C6 -75.5(4) . .
O1 Cu1 N3 C15 -14.0(4) . .
N2 Cu1 N3 C15 -177.8(4) . .
N1 Cu1 N3 C15 -158.1(4) . .
F1 Cu1 N3 C15 82.0(4) . .
O1 Cu1 N3 C11 164.1(3) . .
N2 Cu1 N3 C11 0.3(3) . .
N1 Cu1 N3 C11 20.1(6) . .
F1 Cu1 N3 C11 -99.8(3) . .
C5 N1 C1 C2 -0.2(7) . .
Cu1 N1 C1 C2 171.0(4) . .
N1 C1 C2 C3 -1.3(7) . .
C1 C2 C3 C4 1.7(7) . .
C2 C3 C4 C5 -0.6(7) . .
C1 N1 C5 C4 1.4(7) . .
Cu1 N1 C5 C4 -170.8(4) . .
C1 N1 C5 C6 -178.1(4) . .
Cu1 N1 C5 C6 9.8(5) . .
C3 C4 C5 N1 -0.9(7) . .
C3 C4 C5 C6 178.5(4) . .
C10 N2 C6 C7 -1.8(7) . .
Cu1 N2 C6 C7 -179.6(3) . .
C10 N2 C6 C5 176.8(4) . .
Cu1 N2 C6 C5 -1.0(5) . .
N1 C5 C6 N2 -5.9(6) . .
C4 C5 C6 N2 174.7(4) . .
N1 C5 C6 C7 172.6(4) . .
C4 C5 C6 C7 -6.8(8) . .
N2 C6 C7 C8 0.4(7) . .
C5 C6 C7 C8 -178.0(4) . .
C6 C7 C8 C9 0.8(7) . .
C6 C7 C8 C8 -179.4(5) . 2_546
C7 C8 C9 C10 -0.6(7) . .
C8 C8 C9 C10 179.6(5) 2_546 .
C6 N2 C10 C9 2.0(7) . .
Cu1 N2 C10 C9 179.8(3) . .
C6 N2 C10 C11 -177.0(4) . .
Cu1 N2 C10 C11 0.8(5) . .
C8 C9 C10 N2 -0.8(7) . .
C8 C9 C10 C11 178.1(4) . .
C15 N3 C11 C12 -0.5(7) . .
Cu1 N3 C11 C12 -178.8(4) . .
C15 N3 C11 C10 178.3(4) . .
Cu1 N3 C11 C10 0.0(5) . .
N2 C10 C11 N3 -0.4(6) . .
C9 C10 C11 N3 -179.4(4) . .
N2 C10 C11 C12 178.3(4) . .
C9 C10 C11 C12 -0.6(7) . .
N3 C11 C12 C13 -0.2(7) . .
C10 C11 C12 C13 -178.9(4) . .
C11 C12 C13 C14 0.8(8) . .
C12 C13 C14 C15 -0.7(8) . .
C11 N3 C15 C14 0.6(7) . .
Cu1 N3 C15 C14 178.6(4) . .
C13 C14 C15 N3 0.0(8) . .
O4 P1 C16 C17 -43.9(4) . .
O1 P1 C16 C17 -170.3(3) . .
O5 P1 C16 C17 70.8(4) . .
P1 C16 C17 C18 165.4(4) . .
C16 C17 C18 C20 -177.2(4) . 2_665
O8 P2 C19 C20 57.7(4) . .
O6 P2 C19 C20 -177.8(3) . .
O7 P2 C19 C20 -61.6(4) . .
P2 C19 C20 C18 -173.9(4) . 2_665
