#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:30:58 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185579 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/55/7055500.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_7055500
loop_
_publ_author_name
'Mitrofanov, Alexander Yu.'
'Rousselin, Yoann'
'Guilard, Roger'
'Brandès, Stéphane'
'Bessmertnykh-Lemeune, Alla G.'
'Uvarova, Marina A.'
'Nefedov, Sergey E.'
_publ_section_title
;
 Copper(ii) complexes with phosphorylated 1,10-phenanthrolines: from
 molecules to infinite supramolecular arrays
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              5896
_journal_paper_doi               10.1039/C5NJ03572D
_journal_volume                  40
_journal_year                    2016
_chemical_formula_moiety         'C16 H17 Cu N4 O9 P'
_chemical_formula_sum            'C16 H17 Cu N4 O9 P'
_chemical_formula_weight         503.85
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-06-24
_audit_creation_method
;
Olex2 1.2
(compiled 2014.06.23 svn.r2948 for OlexSys, GUI svn.r4855)
;
_audit_update_record
;
2014-06-24 deposited with the CCDC.
2016-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.6819(7)
_cell_length_b                   10.5814(5)
_cell_length_c                   25.5715(14)
_cell_measurement_temperature    115
_cell_volume                     4243.2(4)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2014)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
'SHELXS-97, G.M. Sheldrick, Acta Cryst. (2008). A64, 112-122'
_diffrn_ambient_temperature      115.0
_diffrn_detector                 'CCD Plate'
_diffrn_detector_area_resol_mean '512 x 512'
_diffrn_detector_type            APEX2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Nonius Kappa Apex II'
_diffrn_measurement_method       'φ and ω scans''
_diffrn_radiation_collimation    '0.6 mm'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            20472
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.508
_diffrn_reflns_theta_min         2.816
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Mo
_diffrn_source_type              'Siemens KFF Mo 2K-180'
_exptl_absorpt_coefficient_mu    1.161
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear light blue'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       prism
_exptl_crystal_F_000             2056
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: diethyl ether / DCM'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.071
_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_constraints    4
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4863
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0368P)²+4.6609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0803
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3724
_reflns_number_total             4863
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5nj03572d2.cif
_cod_data_source_block           13ma2105
_cod_depositor_comments
'Adding full bibliography for 7055499--7055503.cif.'
_cod_database_code               7055500
_shelxl_version_number           2014-3
_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.
;
_shelx_estimated_absorpt_t_max   0.845
_shelx_estimated_absorpt_t_min   0.722
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C16-C15 \\sim C16A-C15A \\sim C14-C13
 with sigma of 0.01
 O9-C15 \\sim O9-C15A \\sim O8-C13
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C15A) = Uanis(C16A) = Uanis(C15) = Uanis(C16)
4. Others
 Fixed Sof: C15(0.75) H15A(0.75) H15B(0.75) C16(0.75) H16A(0.75) H16B(0.75)
 H16C(0.75) C15A(0.25) H15C(0.25) H15D(0.25) C16A(0.25) H16D(0.25) H16E(0.25)
 H16F(0.25)
5.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C15(H15A,H15B), C15A(H15C,H15D)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10)
5.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C16A(H16D,H16E,H16F)
;
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a mylar loop oil'
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.01396(2) 0.58403(3) 0.14934(2) 0.01714(9) Uani 1 1 d . . . .
P1 P -0.09101(4) 0.29132(6) 0.14704(2) 0.01744(13) Uani 1 1 d . . . .
O1 O -0.03330(11) 0.59952(17) 0.07781(7) 0.0280(4) Uani 1 1 d . . . .
O2 O 0.08095(13) 0.7067(2) 0.05765(8) 0.0421(5) Uani 1 1 d . . A 1
O4 O -0.08451(10) 0.67855(15) 0.17667(7) 0.0224(4) Uani 1 1 d . . . .
O5 O -0.00729(12) 0.83984(19) 0.15383(9) 0.0389(5) Uani 1 1 d . . . .
O7 O -0.06046(11) 0.41449(15) 0.16571(7) 0.0231(4) Uani 1 1 d . . . .
O8 O -0.01769(10) 0.22322(15) 0.11679(7) 0.0229(4) Uani 1 1 d . . . .
O9 O -0.17233(11) 0.29082(18) 0.11199(7) 0.0293(4) Uani 1 1 d . . . .
O3 O -0.02520(18) 0.7007(2) 0.00498(9) 0.0656(8) Uani 1 1 d . . A 1
N1 N 0.08256(11) 0.60965(17) 0.21587(7) 0.0159(4) Uani 1 1 d . . . .
N2 N 0.11673(12) 0.48549(19) 0.12871(8) 0.0218(4) Uani 1 1 d . . . .
N3 N 0.00903(16) 0.6712(2) 0.04588(8) 0.0325(5) Uani 1 1 d . . A 1
C1 C 0.06403(14) 0.6729(2) 0.25875(9) 0.0166(5) Uani 1 1 d . . . .
H1 H 0.0082 0.7067 0.2625 0.020 Uiso 1 1 calc R . . .
C2 C 0.12337(14) 0.6928(2) 0.29936(9) 0.0167(5) Uani 1 1 d . . . .
C3 C 0.20402(14) 0.6423(2) 0.29484(9) 0.0185(5) Uani 1 1 d . . . .
H3 H 0.2451 0.6553 0.3216 0.022 Uiso 1 1 calc R . . .
C4 C 0.22478(14) 0.5713(2) 0.25028(9) 0.0188(5) Uani 1 1 d . . . .
C5 C 0.30577(15) 0.5092(3) 0.24245(11) 0.0278(6) Uani 1 1 d . . . .
H5 H 0.3491 0.5169 0.2682 0.033 Uiso 1 1 calc R . . .
C6 C 0.32066(16) 0.4405(3) 0.19910(11) 0.0315(6) Uani 1 1 d . . . .
H6 H 0.3743 0.3999 0.1951 0.038 Uiso 1 1 calc R . . .
C7 C 0.25818(16) 0.4272(2) 0.15913(10) 0.0260(6) Uani 1 1 d . . . .
C8 C 0.26910(18) 0.3573(3) 0.11273(12) 0.0366(7) Uani 1 1 d . . . .
H8 H 0.3208 0.3129 0.1067 0.044 Uiso 1 1 calc R . . .
C9 C 0.20536(18) 0.3533(3) 0.07637(12) 0.0381(7) Uani 1 1 d . . . .
H9 H 0.2125 0.3059 0.0451 0.046 Uiso 1 1 calc R . . .
C10 C 0.12949(17) 0.4191(3) 0.08541(11) 0.0318(6) Uani 1 1 d . . . .
H10 H 0.0857 0.4163 0.0597 0.038 Uiso 1 1 calc R . . .
C11 C 0.17936(14) 0.4882(2) 0.16531(9) 0.0193(5) Uani 1 1 d . . . .
C12 C 0.16225(14) 0.5583(2) 0.21171(9) 0.0157(5) Uani 1 1 d . . . .
N4 N -0.07530(14) 0.8000(2) 0.17236(9) 0.0269(5) Uani 1 1 d . . . .
O6 O -0.13355(14) 0.8673(2) 0.18638(11) 0.0516(6) Uani 1 1 d . . B 1
C13 C -0.03250(18) 0.1048(2) 0.08828(11) 0.0318(6) Uani 1 1 d . . . .
H13A H -0.0685 0.1207 0.0572 0.038 Uiso 1 1 calc R . . .
H13B H -0.0622 0.0432 0.1111 0.038 Uiso 1 1 calc R . . .
C14 C 0.0521(2) 0.0537(3) 0.07194(14) 0.0454(8) Uani 1 1 d . . . .
H14A H 0.0787 0.1118 0.0470 0.068 Uiso 1 1 calc GR . . .
H14B H 0.0443 -0.0291 0.0554 0.068 Uiso 1 1 calc GR . . .
H14C H 0.0889 0.0447 0.1027 0.068 Uiso 1 1 calc GR . . .
C15 C -0.1813(3) 0.3683(5) 0.06454(17) 0.0465(8) Uani 0.75 1 d . P C 1
H15A H -0.1538 0.3266 0.0343 0.056 Uiso 0.75 1 calc R P C 1
H15B H -0.1550 0.4525 0.0696 0.056 Uiso 0.75 1 calc R P C 1
C16 C -0.2747(3) 0.3801(5) 0.05612(19) 0.0465(8) Uani 0.75 1 d . P C 1
H16A H -0.2854 0.4240 0.0230 0.070 Uiso 0.75 1 calc GR P C 1
H16B H -0.3000 0.4284 0.0849 0.070 Uiso 0.75 1 calc GR P C 1
H16C H -0.3004 0.2957 0.0549 0.070 Uiso 0.75 1 calc GR P C 1
C15A C -0.2015(8) 0.4107(9) 0.0891(5) 0.0465(8) Uani 0.25 1 d . P C 2
H15C H -0.2289 0.4588 0.1177 0.056 Uiso 0.25 1 calc R P C 2
H15D H -0.1495 0.4583 0.0793 0.056 Uiso 0.25 1 calc R P C 2
C16A C -0.2589(8) 0.4183(16) 0.0443(5) 0.0465(8) Uani 0.25 1 d . P C 2
H16D H -0.2360 0.3677 0.0155 0.070 Uiso 0.25 1 calc GR P C 2
H16E H -0.2643 0.5065 0.0332 0.070 Uiso 0.25 1 calc GR P C 2
H16F H -0.3152 0.3857 0.0543 0.070 Uiso 0.25 1 calc GR P C 2
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'
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_3
O1 Cu1 O7 92.58(7) .
O1 Cu1 N1 163.91(7) .
O1 Cu1 N2 95.83(8) .
O4 Cu1 O1 89.55(8) .
O4 Cu1 O7 85.98(6) .
O4 Cu1 N1 92.88(7) .
O4 Cu1 N2 174.57(8) .
N1 Cu1 O7 103.45(7) .
N2 Cu1 O7 93.05(7) .
N2 Cu1 N1 82.13(8) .
O7 P1 O8 109.28(10) .
O7 P1 O9 117.19(10) .
O7 P1 C2 111.06(10) 3_545
O8 P1 C2 108.57(10) 3_545
O9 P1 O8 108.41(10) .
O9 P1 C2 101.88(10) 3_545
N3 O1 Cu1 115.99(14) .
N4 O4 Cu1 112.69(15) .
P1 O7 Cu1 147.39(11) .
C13 O8 P1 121.54(16) .
C15 O9 P1 123.4(2) .
C15A O9 P1 118.7(5) .
C1 N1 Cu1 130.41(15) .
C1 N1 C12 117.94(19) .
C12 N1 Cu1 111.47(15) .
C10 N2 Cu1 128.37(18) .
C10 N2 C11 118.5(2) .
C11 N2 Cu1 113.09(15) .
O2 N3 O1 119.7(2) .
O3 N3 O1 117.7(2) .
O3 N3 O2 122.6(2) .
N1 C1 H1 118.5 .
N1 C1 C2 122.9(2) .
C2 C1 H1 118.5 .
C1 C2 P1 117.54(17) 3
C3 C2 P1 123.30(18) 3
C3 C2 C1 119.1(2) .
C2 C3 H3 120.4 .
C2 C3 C4 119.3(2) .
C4 C3 H3 120.4 .
C3 C4 C5 124.1(2) .
C12 C4 C3 117.6(2) .
C12 C4 C5 118.3(2) .
C4 C5 H5 119.6 .
C6 C5 C4 120.8(2) .
C6 C5 H5 119.6 .
C5 C6 H6 119.1 .
C5 C6 C7 121.7(2) .
C7 C6 H6 119.1 .
C8 C7 C6 125.0(2) .
C11 C7 C6 118.7(2) .
C11 C7 C8 116.3(2) .
C7 C8 H8 120.0 .
C9 C8 C7 120.1(3) .
C9 C8 H8 120.0 .
C8 C9 H9 120.2 .
C8 C9 C10 119.7(3) .
C10 C9 H9 120.2 .
N2 C10 C9 122.0(3) .
N2 C10 H10 119.0 .
C9 C10 H10 119.0 .
N2 C11 C7 123.4(2) .
N2 C11 C12 116.7(2) .
C7 C11 C12 120.0(2) .
N1 C12 C4 123.2(2) .
N1 C12 C11 116.4(2) .
C4 C12 C11 120.4(2) .
O5 N4 O4 117.7(2) .
O6 N4 O4 118.2(2) .
O6 N4 O5 124.1(2) .
O8 C13 H13A 110.1 .
O8 C13 H13B 110.1 .
O8 C13 C14 107.9(2) .
H13A C13 H13B 108.4 .
C14 C13 H13A 110.1 .
C14 C13 H13B 110.1 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14B 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
O9 C15 H15A 110.7 .
O9 C15 H15B 110.7 .
O9 C15 C16 105.1(3) .
H15A C15 H15B 108.8 .
C16 C15 H15A 110.7 .
C16 C15 H15B 110.7 .
C15 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
C15 C16 H16C 109.5 .
H16A C16 H16B 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
O9 C15A H15C 106.5 .
O9 C15A H15D 106.5 .
H15C C15A H15D 106.5 .
C16A C15A O9 123.5(10) .
C16A C15A H15C 106.5 .
C16A C15A H15D 106.5 .
C15A C16A H16D 109.5 .
C15A C16A H16E 109.5 .
C15A C16A H16F 109.5 .
H16D C16A H16E 109.5 .
H16D C16A H16F 109.5 .
H16E C16A H16F 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.9803(18) .
Cu1 O4 1.9681(16) .
Cu1 O7 2.1807(16) .
Cu1 N1 2.0310(19) .
Cu1 N2 1.991(2) .
P1 O7 1.4684(17) .
P1 O8 1.5621(17) .
P1 O9 1.5587(18) .
P1 C2 1.795(2) 3_545
O1 N3 1.297(3) .
O2 N3 1.226(3) .
O4 N4 1.298(3) .
O5 N4 1.241(3) .
O8 C13 1.468(3) .
O9 C15 1.471(4) .
O9 C15A 1.470(7) .
O3 N3 1.216(3) .
N1 C1 1.317(3) .
N1 C12 1.367(3) .
N2 C10 1.326(3) .
N2 C11 1.357(3) .
C1 H1 0.9500 .
C1 C2 1.410(3) .
C2 P1 1.795(2) 3
C2 C3 1.378(3) .
C3 H3 0.9500 .
C3 C4 1.403(3) .
C4 C5 1.444(3) .
C4 C12 1.398(3) .
C5 H5 0.9500 .
C5 C6 1.346(4) .
C6 H6 0.9500 .
C6 C7 1.423(4) .
C7 C8 1.409(4) .
C7 C11 1.403(3) .
C8 H8 0.9500 .
C8 C9 1.366(4) .
C9 H9 0.9500 .
C9 C10 1.398(4) .
C10 H10 0.9500 .
C11 C12 1.425(3) .
N4 O6 1.213(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.493(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.486(5) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C15A H15C 0.9900 .
C15A H15D 0.9900 .
C15A C16A 1.459(8) .
C16A H16D 0.9800 .
C16A H16E 0.9800 .
C16A H16F 0.9800 .
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
Cu1 O1 N3 O2 12.4(3) . .
Cu1 O1 N3 O3 -167.5(2) . .
Cu1 O4 N4 O5 -2.1(3) . .
Cu1 O4 N4 O6 177.5(2) . .
Cu1 N1 C1 C2 -172.72(17) . .
Cu1 N1 C12 C4 174.77(17) . .
Cu1 N1 C12 C11 -5.7(2) . .
Cu1 N2 C10 C9 -179.4(2) . .
Cu1 N2 C11 C7 -179.03(19) . .
Cu1 N2 C11 C12 0.4(3) . .
P1 O8 C13 C14 -170.29(19) . .
P1 O9 C15 C16 -157.8(3) . .
P1 O9 C15A C16A 160.9(11) . .
P1 C2 C3 C4 -176.95(18) 3 .
O7 P1 O8 C13 -172.67(18) . .
O7 P1 O9 C15 53.0(3) . .
O7 P1 O9 C15A 14.7(7) . .
O8 P1 O7 Cu1 40.3(2) . .
O8 P1 O9 C15 -71.2(3) . .
O8 P1 O9 C15A -109.5(7) . .
O9 P1 O7 Cu1 -83.5(2) . .
O9 P1 O8 C13 -43.9(2) . .
N1 C1 C2 P1 175.28(18) . 3
N1 C1 C2 C3 -1.2(4) . .
N2 C11 C12 N1 3.6(3) . .
N2 C11 C12 C4 -176.8(2) . .
C1 N1 C12 C4 -0.9(3) . .
C1 N1 C12 C11 178.7(2) . .
C1 C2 C3 C4 -0.7(3) . .
C2 P1 O7 Cu1 160.07(18) 3_545 .
C2 P1 O8 C13 66.1(2) 3_545 .
C2 P1 O9 C15 174.4(3) 3_545 .
C2 P1 O9 C15A 136.1(7) 3_545 .
C2 C3 C4 C5 -177.1(2) . .
C2 C3 C4 C12 1.6(3) . .
C3 C4 C5 C6 178.7(3) . .
C3 C4 C12 N1 -0.9(3) . .
C3 C4 C12 C11 179.6(2) . .
C4 C5 C6 C7 0.7(4) . .
C5 C4 C12 N1 177.9(2) . .
C5 C4 C12 C11 -1.6(3) . .
C5 C6 C7 C8 179.9(3) . .
C5 C6 C7 C11 0.3(4) . .
C6 C7 C8 C9 -178.5(3) . .
C6 C7 C11 N2 177.4(2) . .
C6 C7 C11 C12 -2.0(4) . .
C7 C8 C9 C10 0.2(5) . .
C7 C11 C12 N1 -176.9(2) . .
C7 C11 C12 C4 2.7(3) . .
C8 C7 C11 N2 -2.1(4) . .
C8 C7 C11 C12 178.4(2) . .
C8 C9 C10 N2 -0.5(5) . .
C10 N2 C11 C7 1.9(4) . .
C10 N2 C11 C12 -178.7(2) . .
C11 N2 C10 C9 -0.5(4) . .
C11 C7 C8 C9 1.0(4) . .
C12 N1 C1 C2 2.0(3) . .
C12 C4 C5 C6 0.0(4) . .
C15 O9 C15A C16A 52.9(12) . .
C15A O9 C15 C16 -65.5(10) . .
