#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:33:52 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229366 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/70/7047080.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_7047080
loop_
_publ_author_name
'Xu, Hailong'
'Zhou, Hong'
'Feng, Lu'
'Wang, Qiaoyun'
'Chen, Rui'
'Huang, Wentao'
'Wu, Xixi'
_publ_section_title
;
 Synthesis, crystal structures, and magnetic properties of six transition
 metal phosphonates.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11226
_journal_page_last               11238
_journal_paper_doi               10.1039/c8dt02070a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C24 H32 Cu2 F N4 O11 P2'
_chemical_formula_weight         760.55
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-22 deposited with the CCDC.
2018-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.934(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9865(4)
_cell_length_b                   23.4129(12)
_cell_length_c                   21.7231(13)
_cell_measurement_reflns_used    4023
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.3277
_cell_measurement_theta_min      3.5148
_cell_volume                     3043.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0802
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16037
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.215
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.573
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.660
_exptl_crystal_description       block
_exptl_crystal_F_000             1556
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.793
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         5300
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0330P)²+15.1607P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1250
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3902
_reflns_number_total             5300
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02070a2.cif
_cod_data_source_block           complex_4
_cod_depositor_comments
'Adding full bibliography for 7047076--7047081.cif.'
_cod_database_code               7047080
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.2378(12) 0.1419(3) 0.1926(3) 0.0311(16) Uani 1 1 d . .
C2 C 0.2383(12) 0.1185(3) 0.2521(4) 0.0396(19) Uani 1 1 d . .
H2 H 0.2373 0.1425 0.2874 0.047 Uiso 1 1 calc R U
C3 C 0.2401(14) 0.0588(3) 0.2583(4) 0.049(2) Uani 1 1 d . .
H3 H 0.2442 0.0418 0.2980 0.058 Uiso 1 1 calc R U
C4 C 0.2361(17) 0.0251(4) 0.2065(5) 0.063(3) Uani 1 1 d . .
C5 C 0.2274(17) 0.0481(4) 0.1473(5) 0.067(3) Uani 1 1 d . .
H5 H 0.2216 0.0236 0.1124 0.080 Uiso 1 1 calc R U
C6 C 0.2273(13) 0.1063(3) 0.1393(4) 0.045(2) Uani 1 1 d . .
H6 H 0.2204 0.1225 0.0992 0.054 Uiso 1 1 calc R U
C7 C 0.2548(11) 0.2062(3) 0.1850(3) 0.0263(15) Uani 1 1 d . .
H7A H 0.1788 0.2171 0.1456 0.032 Uiso 1 1 calc R U
H7B H 0.1740 0.2248 0.2186 0.032 Uiso 1 1 calc R U
C8 C 0.6200(9) 0.2050(2) 0.1345(2) 0.0124(12) Uani 1 1 d . .
H8A H 0.6031 0.1630 0.1331 0.015 Uiso 1 1 calc R U
H8B H 0.7806 0.2140 0.1410 0.015 Uiso 1 1 calc R U
C9 C 0.6078(9) 0.2226(2) 0.2471(2) 0.0135(12) Uani 1 1 d . .
H9A H 0.7700 0.2294 0.2432 0.016 Uiso 1 1 calc R U
H9B H 0.5869 0.1834 0.2629 0.016 Uiso 1 1 calc R U
C10 C 0.5227(11) 0.4208(3) 0.1032(3) 0.0223(14) Uani 1 1 d . .
H10 H 0.6051 0.3964 0.0775 0.027 Uiso 1 1 calc R U
C11 C 0.5099(11) 0.4781(3) 0.0885(3) 0.0239(15) Uani 1 1 d . .
H11 H 0.5866 0.4926 0.0542 0.029 Uiso 1 1 calc R U
C12 C 0.3839(10) 0.5145(2) 0.1242(3) 0.0180(13) Uani 1 1 d . .
C13 C 0.2831(12) 0.4904(3) 0.1752(3) 0.0283(16) Uani 1 1 d . .
H13 H 0.1979 0.5137 0.2015 0.034 Uiso 1 1 calc R U
C14 C 0.3076(11) 0.4329(3) 0.1873(3) 0.0253(15) Uani 1 1 d . .
H14 H 0.2383 0.4174 0.2222 0.030 Uiso 1 1 calc R U
C15 C 0.1594(10) 0.6645(2) 0.1155(3) 0.0175(13) Uani 1 1 d . .
H15 H 0.0330 0.6851 0.1289 0.021 Uiso 1 1 calc R U
C16 C 0.1768(11) 0.6073(3) 0.1290(3) 0.0225(14) Uani 1 1 d . .
H16 H 0.0617 0.5888 0.1505 0.027 Uiso 1 1 calc R U
C17 C 0.3628(10) 0.5761(2) 0.1111(3) 0.0182(13) Uani 1 1 d . .
C18 C 0.5217(11) 0.6059(3) 0.0785(3) 0.0214(14) Uani 1 1 d . .
H18 H 0.6502 0.5865 0.0648 0.026 Uiso 1 1 calc R U
C19 C 0.4947(11) 0.6632(3) 0.0660(3) 0.0202(14) Uani 1 1 d . .
H19 H 0.6063 0.6824 0.0439 0.024 Uiso 1 1 calc R U
C20 C 0.7705(13) 0.1117(3) -0.0045(3) 0.0342(18) Uani 1 1 d . .
H20 H 0.8948 0.1307 0.0146 0.041 Uiso 1 1 calc R U
C21 C 0.7162(12) 0.0579(3) 0.0157(3) 0.0348(18) Uani 1 1 d . .
H21 H 0.8042 0.0403 0.0476 0.042 Uiso 1 1 calc R U
C22 C 0.5331(12) 0.0291(2) -0.0103(3) 0.0235(15) Uani 1 1 d . .
C23 C 0.4178(13) 0.0571(3) -0.0574(4) 0.039(2) Uani 1 1 d . .
H23 H 0.2922 0.0394 -0.0772 0.047 Uiso 1 1 calc R U
C24 C 0.4841(12) 0.1108(3) -0.0758(3) 0.0335(18) Uani 1 1 d . .
H24 H 0.4025 0.1289 -0.1086 0.040 Uiso 1 1 calc R U
Cu1 Cu 0.47190(12) 0.31487(3) 0.16974(3) 0.01349(18) Uani 1 1 d . .
Cu2 Cu 0.71537(11) 0.22243(3) -0.06746(3) 0.01027(17) Uani 1 1 d . .
F1 F 0.2355(13) -0.0323(2) 0.2133(4) 0.105(2) Uani 1 1 d . .
H9D H 0.01(2) 0.458(5) 0.037(3) 0.127 Uiso 1 1 d D U
N1 N 0.4912(8) 0.22873(19) 0.1856(2) 0.0125(10) Uani 1 1 d . .
N2 N 0.4247(8) 0.3981(2) 0.1518(2) 0.0184(11) Uani 1 1 d . .
N3 N 0.3170(8) 0.69263(19) 0.0839(2) 0.0125(10) Uani 1 1 d . .
N4 N 0.6570(9) 0.1383(2) -0.0496(2) 0.0172(11) Uani 1 1 d . .
O1 O 0.7199(6) 0.23902(16) 0.02070(16) 0.0128(9) Uani 1 1 d . .
O2 O 0.4463(7) 0.29702(16) 0.08230(18) 0.0173(9) Uani 1 1 d . .
O3 O 0.3244(7) 0.20230(18) 0.03475(18) 0.0199(10) Uani 1 1 d . .
O4 O 0.4311(7) 0.32422(17) 0.25739(18) 0.0215(10) Uani 1 1 d . .
O5 O 0.2930(7) 0.24963(19) 0.33176(19) 0.0249(10) Uani 1 1 d . .
O6 O 0.6824(7) 0.29168(16) 0.34473(17) 0.0153(9) Uani 1 1 d . .
O7 O 1.0768(7) 0.2169(2) -0.06827(18) 0.0267(11) Uani 1 1 d . .
H7D H 1.1394 0.2234 -0.0333 0.032 Uiso 1 1 d R U
H7C H 1.1320 0.2382 -0.0956 0.032 Uiso 1 1 d R U
O8 O 0.8481(7) 0.32294(19) 0.1731(2) 0.0298(11) Uani 1 1 d . .
H8D H 0.9089 0.3038 0.1449 0.036 Uiso 1 1 d R U
H8C H 0.9049 0.3136 0.2080 0.036 Uiso 1 1 d R U
O9 O 0.0095(11) 0.4399(3) 0.0031(3) 0.0570(16) Uani 1 1 d D .
H9C H 0.0169 0.4087 0.0229 0.068 Uiso 1 1 d R U
O10 O 0.9962(7) 0.3605(2) 0.2870(2) 0.0351(12) Uani 1 1 d . .
H10A H 1.1218 0.3452 0.2803 0.042 Uiso 1 1 d R U
H10B H 0.9144 0.3361 0.3045 0.042 Uiso 1 1 d R U
O11 O 0.0121(7) 0.32967(19) 0.0536(2) 0.0289(11) Uani 1 1 d . .
H11A H -0.0699 0.3012 0.0440 0.035 Uiso 1 1 d R U
H11B H 0.1436 0.3177 0.0621 0.035 Uiso 1 1 d R U
P1 P 0.5161(3) 0.23616(6) 0.06187(7) 0.0132(3) Uani 1 1 d . .
P2 P 0.4918(3) 0.27443(7) 0.30027(7) 0.0150(3) 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'
Cu Cu 0.3201 1.2651 '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'
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'
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
C2 C1 C6 121.2(7) . .
C2 C1 C7 119.3(6) . .
C6 C1 C7 119.5(6) . .
C1 C2 C3 118.4(8) . .
C1 C2 H2 120.8 . .
C3 C2 H2 120.8 . .
C4 C3 C2 119.6(8) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
F1 C4 C3 118.8(9) . .
F1 C4 C5 119.0(9) . .
C3 C4 C5 122.2(8) . .
C6 C5 C4 120.0(9) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 118.6(8) . .
C5 C6 H6 120.7 . .
C1 C6 H6 120.7 . .
N1 C7 C1 114.3(5) . .
N1 C7 H7A 108.7 . .
C1 C7 H7A 108.7 . .
N1 C7 H7B 108.7 . .
C1 C7 H7B 108.7 . .
H7A C7 H7B 107.6 . .
N1 C8 P1 109.1(4) . .
N1 C8 H8A 109.9 . .
P1 C8 H8A 109.9 . .
N1 C8 H8B 109.9 . .
P1 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
N1 C9 P2 108.9(4) . .
N1 C9 H9A 109.9 . .
P2 C9 H9A 109.9 . .
N1 C9 H9B 109.9 . .
P2 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
N2 C10 C11 123.2(6) . .
N2 C10 H10 118.4 . .
C11 C10 H10 118.4 . .
C10 C11 C12 119.5(6) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C11 C12 C13 116.9(5) . .
C11 C12 C17 122.4(5) . .
C13 C12 C17 120.7(5) . .
C14 C13 C12 119.9(6) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
N2 C14 C13 122.7(6) . .
N2 C14 H14 118.6 . .
C13 C14 H14 118.6 . .
N3 C15 C16 122.1(6) . .
N3 C15 H15 118.9 . .
C16 C15 H15 118.9 . .
C15 C16 C17 120.4(6) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C18 C17 C16 116.3(6) . .
C18 C17 C12 122.2(5) . .
C16 C17 C12 121.4(5) . .
C19 C18 C17 120.7(6) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
N3 C19 C18 122.3(6) . .
N3 C19 H19 118.8 . .
C18 C19 H19 118.8 . .
N4 C20 C21 123.0(7) . .
N4 C20 H20 118.5 . .
C21 C20 H20 118.5 . .
C20 C21 C22 120.3(6) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C23 C22 C21 116.0(6) . .
C23 C22 C22 121.7(8) . 3_655
C21 C22 C22 122.2(7) . 3_655
C22 C23 C24 120.4(7) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
N4 C24 C23 123.0(6) . .
N4 C24 H24 118.5 . .
C23 C24 H24 118.5 . .
O4 Cu1 O2 166.86(18) . .
O4 Cu1 N2 93.40(18) . .
O2 Cu1 N2 90.76(18) . .
O4 Cu1 N1 87.35(18) . .
O2 Cu1 N1 87.44(17) . .
N2 Cu1 N1 174.9(2) . .
O4 Cu1 O8 96.75(17) . .
O2 Cu1 O8 95.44(17) . .
N2 Cu1 O8 93.37(19) . .
N1 Cu1 O8 91.51(18) . .
O6 Cu2 O1 174.69(17) 4_565 .
O6 Cu2 N3 89.33(17) 4_565 3_665
O1 Cu2 N3 88.58(17) . 3_665
O6 Cu2 N4 90.58(17) 4_565 .
O1 Cu2 N4 90.14(17) . .
N3 Cu2 N4 164.6(2) 3_665 .
O6 Cu2 O7 92.89(16) 4_565 .
O1 Cu2 O7 92.24(15) . .
N3 Cu2 O7 98.41(18) 3_665 .
N4 Cu2 O7 96.98(19) . .
C8 N1 C9 113.3(4) . .
C8 N1 C7 111.9(4) . .
C9 N1 C7 112.6(4) . .
C8 N1 Cu1 105.7(3) . .
C9 N1 Cu1 105.5(3) . .
C7 N1 Cu1 107.1(3) . .
C14 N2 C10 117.8(5) . .
C14 N2 Cu1 123.6(4) . .
C10 N2 Cu1 118.5(4) . .
C19 N3 C15 118.1(5) . .
C19 N3 Cu2 121.8(4) . 3_665
C15 N3 Cu2 120.1(4) . 3_665
C20 N4 C24 117.4(5) . .
C20 N4 Cu2 120.4(4) . .
C24 N4 Cu2 121.5(4) . .
P1 O1 Cu2 125.2(2) . .
P1 O2 Cu1 117.6(2) . .
P2 O4 Cu1 118.5(2) . .
P2 O6 Cu2 128.9(2) . 4_566
Cu2 O7 H7D 113.1 . .
Cu2 O7 H7C 112.4 . .
H7D O7 H7C 110.4 . .
Cu1 O8 H8D 112.6 . .
Cu1 O8 H8C 112.1 . .
H8D O8 H8C 109.9 . .
H9D O9 H9C 89.8 . .
H10A O10 H10B 108.7 . .
H11A O11 H11B 108.5 . .
O3 P1 O1 114.0(2) . .
O3 P1 O2 112.8(2) . .
O1 P1 O2 110.6(2) . .
O3 P1 C8 111.2(3) . .
O1 P1 C8 105.4(2) . .
O2 P1 C8 101.9(2) . .
O5 P2 O6 113.6(2) . .
O5 P2 O4 113.3(3) . .
O6 P2 O4 110.0(2) . .
O5 P2 C9 110.7(3) . .
O6 P2 C9 106.5(2) . .
O4 P2 C9 102.0(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.403(10) .
C1 C6 1.427(10) .
C1 C7 1.517(9) .
C2 C3 1.406(11) .
C2 H2 0.9500 .
C3 C4 1.372(13) .
C3 H3 0.9500 .
C4 F1 1.353(9) .
C4 C5 1.395(14) .
C5 C6 1.373(11) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 N1 1.510(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 N1 1.482(7) .
C8 P1 1.828(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 N1 1.492(7) .
C9 P2 1.829(6) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 N2 1.336(8) .
C10 C11 1.380(8) .
C10 H10 0.9500 .
C11 C12 1.392(8) .
C11 H11 0.9500 .
C12 C13 1.397(8) .
C12 C17 1.475(8) .
C13 C14 1.378(8) .
C13 H13 0.9500 .
C14 N2 1.336(8) .
C14 H14 0.9500 .
C15 N3 1.356(7) .
C15 C16 1.375(8) .
C15 H15 0.9500 .
C16 C17 1.397(8) .
C16 H16 0.9500 .
C17 C18 1.392(8) .
C18 C19 1.376(8) .
C18 H18 0.9500 .
C19 N3 1.336(8) .
C19 H19 0.9500 .
C20 N4 1.328(8) .
C20 C21 1.378(9) .
C20 H20 0.9500 .
C21 C22 1.391(9) .
C21 H21 0.9500 .
C22 C23 1.379(9) .
C22 C22 1.492(12) 3_655
C23 C24 1.381(9) .
C23 H23 0.9500 .
C24 N4 1.330(8) .
C24 H24 0.9500 .
Cu1 O4 1.940(4) .
Cu1 O2 1.946(4) .
Cu1 N2 2.006(5) .
Cu1 N1 2.049(5) .
Cu1 O8 2.259(4) .
Cu2 O6 1.939(4) 4_565
Cu2 O1 1.953(4) .
Cu2 N3 2.028(4) 3_665
Cu2 N4 2.040(5) .
Cu2 O7 2.168(4) .
N3 Cu2 2.028(4) 3_665
O1 P1 1.538(4) .
O2 P1 1.554(4) .
O3 P1 1.499(4) .
O4 P2 1.528(4) .
O5 P2 1.509(4) .
O6 P2 1.524(4) .
O6 Cu2 1.939(4) 4_566
O7 H7D 0.8496 .
O7 H7C 0.8498 .
O8 H8D 0.8501 .
O8 H8C 0.8499 .
O9 H9D 0.851(10) .
O9 H9C 0.8498 .
O10 H10A 0.8500 .
O10 H10B 0.8498 .
O11 H11A 0.8499 .
O11 H11B 0.8500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H11B O2 0.85 1.91 2.761(6) 175.4 .
O11 H11A O1 0.85 1.98 2.827(6) 175.6 1_455
O10 H10B O6 0.85 1.96 2.803(6) 168.9 .
O10 H10A O4 0.85 2.00 2.833(6) 168.7 1_655
O9 H9C O11 0.85 1.97 2.805(7) 168.8 .
O8 H8C O10 0.85 2.09 2.746(7) 133.1 .
O8 H8D O11 0.85 2.18 2.810(6) 130.5 1_655
O7 H7C O5 0.85 1.90 2.682(6) 152.6 4_665
O7 H7D O3 0.85 1.88 2.664(5) 152.2 1_655
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
C6 C1 C2 C3 3.3(11) . .
C7 C1 C2 C3 -175.1(7) . .
C1 C2 C3 C4 -1.5(12) . .
C2 C3 C4 F1 -179.3(8) . .
C2 C3 C4 C5 -0.8(15) . .
F1 C4 C5 C6 179.9(9) . .
C3 C4 C5 C6 1.3(16) . .
C4 C5 C6 C1 0.4(14) . .
C2 C1 C6 C5 -2.8(12) . .
C7 C1 C6 C5 175.6(7) . .
C2 C1 C7 N1 86.7(8) . .
C6 C1 C7 N1 -91.8(8) . .
N2 C10 C11 C12 -2.2(10) . .
C10 C11 C12 C13 2.4(10) . .
C10 C11 C12 C17 -179.9(6) . .
C11 C12 C13 C14 -1.3(10) . .
C17 C12 C13 C14 -179.0(6) . .
C12 C13 C14 N2 -0.2(11) . .
N3 C15 C16 C17 1.3(9) . .
C15 C16 C17 C18 -1.4(9) . .
C15 C16 C17 C12 -179.1(6) . .
C11 C12 C17 C18 -23.7(9) . .
C13 C12 C17 C18 153.9(6) . .
C11 C12 C17 C16 153.9(6) . .
C13 C12 C17 C16 -28.5(9) . .
C16 C17 C18 C19 1.0(9) . .
C12 C17 C18 C19 178.7(6) . .
C17 C18 C19 N3 -0.4(10) . .
N4 C20 C21 C22 -1.2(12) . .
C20 C21 C22 C23 1.5(11) . .
C20 C21 C22 C22 -179.6(8) . 3_655
C21 C22 C23 C24 -0.7(11) . .
C22 C22 C23 C24 -179.6(8) 3_655 .
C22 C23 C24 N4 -0.7(12) . .
P1 C8 N1 C9 -160.1(4) . .
P1 C8 N1 C7 71.2(5) . .
P1 C8 N1 Cu1 -45.1(4) . .
P2 C9 N1 C8 159.3(4) . .
P2 C9 N1 C7 -72.5(5) . .
P2 C9 N1 Cu1 44.1(4) . .
C1 C7 N1 C8 61.4(6) . .
C1 C7 N1 C9 -67.6(7) . .
C1 C7 N1 Cu1 176.8(4) . .
C13 C14 N2 C10 0.6(10) . .
C13 C14 N2 Cu1 177.9(5) . .
C11 C10 N2 C14 0.6(10) . .
C11 C10 N2 Cu1 -176.8(5) . .
C18 C19 N3 C15 0.2(9) . .
C18 C19 N3 Cu2 178.0(5) . 3_665
C16 C15 N3 C19 -0.6(9) . .
C16 C15 N3 Cu2 -178.5(5) . 3_665
C21 C20 N4 C24 -0.2(11) . .
C21 C20 N4 Cu2 170.0(6) . .
C23 C24 N4 C20 1.1(11) . .
C23 C24 N4 Cu2 -169.0(6) . .
Cu2 O1 P1 O3 18.1(4) . .
Cu2 O1 P1 O2 -110.2(3) . .
Cu2 O1 P1 C8 140.3(3) . .
Cu1 O2 P1 O3 115.5(3) . .
Cu1 O2 P1 O1 -115.5(3) . .
Cu1 O2 P1 C8 -3.8(3) . .
N1 C8 P1 O3 -87.7(4) . .
N1 C8 P1 O1 148.4(4) . .
N1 C8 P1 O2 32.8(4) . .
Cu2 O6 P2 O5 8.2(4) 4_566 .
Cu2 O6 P2 O4 136.3(3) 4_566 .
Cu2 O6 P2 C9 -113.8(3) 4_566 .
Cu1 O4 P2 O5 -114.9(3) . .
Cu1 O4 P2 O6 116.8(3) . .
Cu1 O4 P2 C9 4.1(3) . .
N1 C9 P2 O5 88.4(4) . .
N1 C9 P2 O6 -147.7(3) . .
N1 C9 P2 O4 -32.4(4) . .
