#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/15/7211588.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_7211588
loop_
_publ_author_name
'DeBurgomaster, Paul'
'Ouellette, Wayne'
'Liu, Hongxue'
'O'Connor, Charles J.'
'Zubieta, Jon'
_publ_section_title
;
 Hydrothermal chemistry of vanadium oxides with aromatic di- and
 tri-phosphonates in the presence of secondary metal copper(II) cationic
 complex subunits
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              446
_journal_paper_doi               10.1039/b910641c
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C16 H17 Cu N2 O12.5 P3 V'
_chemical_formula_weight         644.71
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.967(2)
_cell_angle_beta                 92.781(2)
_cell_angle_gamma                101.734(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2667(11)
_cell_length_b                   10.3840(11)
_cell_length_c                   10.6223(11)
_cell_measurement_reflns_used    3268
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.55
_cell_volume                     1087.9(2)
_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 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10999
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         2.55
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    1.701
_exptl_absorpt_correction_T_max  0.8484
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.968
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.984
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.251
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5342
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.251
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0656
_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)+(0.0436P)²+4.0566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1374
_reflns_number_gt                4984
_reflns_number_total             5342
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b910641c.txt
_cod_data_source_block           '[Cu(bipy)VVO2{(HO3P)3C6H3}]?1.5H2O12'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C16 H17 Cu N2 O12.50 P3 V'
_cod_database_code               7211588
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.65663(5) 0.13965(5) 0.55420(5) 0.00826(13) Uani 1 1 d . . .
V1 V 0.81294(7) 0.29873(7) 0.86988(7) 0.00941(16) Uani 1 1 d . . .
P1 P 0.42205(10) 0.61703(11) 0.27748(10) 0.0086(2) Uani 1 1 d . . .
P2 P 0.81667(10) 0.36991(10) 0.41977(10) 0.0087(2) Uani 1 1 d . . .
P3 P 0.87138(10) 0.61975(11) 0.00365(10) 0.0086(2) Uani 1 1 d . . .
O1 O 0.4549(3) 0.7375(3) 0.3863(3) 0.0109(6) Uani 1 1 d . . .
O2 O 0.3361(3) 0.4933(3) 0.3213(3) 0.0160(7) Uani 1 1 d . . .
O3 O 0.3611(3) 0.6449(3) 0.1547(3) 0.0125(6) Uani 1 1 d . . .
O4 O 0.8522(3) 0.4681(3) 0.5466(3) 0.0115(6) Uani 1 1 d . . .
O5 O 0.7206(3) 0.2415(3) 0.4246(3) 0.0106(6) Uani 1 1 d . . .
O6 O 0.9483(3) 0.3381(3) 0.3655(3) 0.0122(6) Uani 1 1 d . . .
O7 O 0.8847(3) 0.4962(3) -0.0890(3) 0.0105(6) Uani 1 1 d . . .
O8 O 0.7929(4) 0.7053(4) -0.0661(4) 0.0164(7) Uani 1 1 d . . .
O9 O 1.0022(3) 0.7070(3) 0.0651(3) 0.0125(6) Uani 1 1 d . . .
O10 O 0.8207(3) 0.2318(3) 0.7207(3) 0.0145(6) Uani 1 1 d . . .
O11 O 0.7468(3) 0.1827(3) 0.9465(3) 0.0182(7) Uani 1 1 d . . .
O90 O 0.8713(8) 0.9721(6) 0.9963(10) 0.080(3) Uani 0.75 1 d P . .
O91A O 0.0873(14) 0.8910(14) 0.8592(13) 0.048(4) Uani 0.364(13) 1 d P A 1
O91B O -0.0458(14) 0.8567(14) 0.8108(13) 0.054(5) Uani 0.386(13) 1 d P A 2
N1 N 0.5793(4) 0.0082(4) 0.6625(3) 0.0112(7) Uani 1 1 d . . .
N2 N 0.7476(4) -0.0060(3) 0.4877(4) 0.0116(7) Uani 1 1 d . . .
C1 C 0.5738(4) 0.5636(4) 0.2439(4) 0.0093(8) Uani 1 1 d . . .
C2 C 0.6241(4) 0.4890(4) 0.3246(4) 0.0103(8) Uani 1 1 d . . .
H2 H 0.5741 0.4619 0.3921 0.012 Uiso 1 1 calc R . .
C3 C 0.7477(4) 0.4536(4) 0.3069(4) 0.0094(8) Uani 1 1 d . . .
C4 C 0.8197(4) 0.4933(4) 0.2075(4) 0.0091(8) Uani 1 1 d . . .
H4 H 0.9031 0.4691 0.1943 0.011 Uiso 1 1 calc R . .
C5 C 0.7699(4) 0.5688(4) 0.1266(4) 0.0110(8) Uani 1 1 d . . .
C6 C 0.6470(4) 0.6026(4) 0.1449(4) 0.0093(8) Uani 1 1 d . . .
H6 H 0.6127 0.6527 0.0893 0.011 Uiso 1 1 calc R . .
C7 C 0.4905(5) 0.0257(4) 0.7494(4) 0.0161(9) Uani 1 1 d . . .
H7 H 0.4490 0.1000 0.7533 0.019 Uiso 1 1 calc R . .
C8 C 0.4578(5) -0.0620(5) 0.8336(4) 0.0196(10) Uani 1 1 d . . .
H8 H 0.3943 -0.0483 0.8940 0.024 Uiso 1 1 calc R . .
C9 C 0.5188(5) -0.1691(5) 0.8280(5) 0.0207(10) Uani 1 1 d . . .
H9 H 0.4986 -0.2296 0.8855 0.025 Uiso 1 1 calc R . .
C10 C 0.6097(5) -0.1880(5) 0.7381(5) 0.0191(10) Uani 1 1 d . . .
H10 H 0.6521 -0.2618 0.7329 0.023 Uiso 1 1 calc R . .
C11 C 0.6380(4) -0.0971(4) 0.6552(4) 0.0143(9) Uani 1 1 d . . .
C12 C 0.7326(4) -0.1060(4) 0.5554(4) 0.0151(9) Uani 1 1 d . . .
C13 C 0.8023(5) -0.2086(5) 0.5289(5) 0.0199(10) Uani 1 1 d . . .
H13 H 0.7920 -0.2782 0.5774 0.024 Uiso 1 1 calc R . .
C14 C 0.8861(5) -0.2076(5) 0.4314(5) 0.0212(10) Uani 1 1 d . . .
H14 H 0.9353 -0.2759 0.4135 0.025 Uiso 1 1 calc R . .
C15 C 0.8985(5) -0.1075(5) 0.3597(5) 0.0198(10) Uani 1 1 d . . .
H15 H 0.9534 -0.1073 0.2903 0.024 Uiso 1 1 calc R . .
C16 C 0.8284(5) -0.0072(5) 0.3922(5) 0.0178(9) Uani 1 1 d . . .
H16 H 0.8380 0.0634 0.3449 0.021 Uiso 1 1 calc R . .
H2' H 0.274(7) 0.509(6) 0.361(6) 0.031(17) Uiso 1 1 d . . .
H6' H 1.005(6) 0.386(6) 0.385(6) 0.015(16) Uiso 1 1 d . . .
H8' H 0.816(11) 0.761(10) -0.052(11) 0.09(4) Uiso 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'
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'
V V 0.3005 0.5294 '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'
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
O1 Cu1 O5 91.62(13) 2_666 .
O1 Cu1 N2 171.93(14) 2_666 .
O5 Cu1 N2 92.36(14) . .
O1 Cu1 N1 93.47(14) 2_666 .
O5 Cu1 N1 170.07(14) . .
N2 Cu1 N1 81.59(15) . .
O1 Cu1 O10 93.25(12) 2_666 .
O5 Cu1 O10 100.90(12) . .
N2 Cu1 O10 92.89(13) . .
N1 Cu1 O10 87.33(13) . .
O11 V1 O10 109.21(17) . .
O11 V1 O7 136.85(15) . 1_556
O10 V1 O7 113.94(14) . 1_556
O11 V1 O9 91.73(14) . 2_766
O10 V1 O9 97.44(14) . 2_766
O7 V1 O9 82.97(12) 1_556 2_766
O11 V1 O3 92.38(15) . 2_666
O10 V1 O3 97.11(14) . 2_666
O7 V1 O3 82.51(12) 1_556 2_666
O9 V1 O3 162.64(13) 2_766 2_666
O3 P1 O1 113.99(17) . .
O3 P1 O2 112.20(19) . .
O1 P1 O2 111.18(18) . .
O3 P1 C1 108.29(18) . .
O1 P1 C1 107.86(18) . .
O2 P1 C1 102.54(18) . .
O5 P2 O4 115.52(17) . .
O5 P2 O6 109.45(18) . .
O4 P2 O6 108.96(18) . .
O5 P2 C3 109.08(18) . .
O4 P2 C3 107.67(18) . .
O6 P2 C3 105.71(19) . .
O9 P3 O7 114.35(17) . .
O9 P3 O8 109.0(2) . .
O7 P3 O8 109.85(19) . .
O9 P3 C5 109.15(19) . .
O7 P3 C5 108.60(18) . .
O8 P3 C5 105.5(2) . .
O9 P3 H8' 93(3) . .
O7 P3 H8' 122(3) . .
O8 P3 H8' 17(3) . .
C5 P3 H8' 109(3) . .
P1 O1 Cu1 128.08(18) . 2_666
P1 O2 H2' 114(5) . .
P1 O3 V1 126.91(18) . 2_666
P2 O5 Cu1 137.23(19) . .
P2 O6 H6' 115(5) . .
P3 O7 V1 141.13(18) . 1_554
P3 O8 H8' 111(10) . .
P3 O9 V1 142.88(19) . 2_766
V1 O10 Cu1 131.85(17) . .
C7 N1 C11 119.7(4) . .
C7 N1 Cu1 126.0(3) . .
C11 N1 Cu1 113.6(3) . .
C16 N2 C12 119.3(4) . .
C16 N2 Cu1 126.3(3) . .
C12 N2 Cu1 114.1(3) . .
C6 C1 C2 119.5(4) . .
C6 C1 P1 121.3(3) . .
C2 C1 P1 119.0(3) . .
C1 C2 C3 120.6(4) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C4 C3 C2 119.2(4) . .
C4 C3 P2 120.9(3) . .
C2 C3 P2 119.7(3) . .
C3 C4 C5 120.4(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C6 C5 C4 119.8(4) . .
C6 C5 P3 122.7(3) . .
C4 C5 P3 117.5(3) . .
C5 C6 C1 120.5(4) . .
C5 C6 H6 119.8 . .
C1 C6 H6 119.8 . .
N1 C7 C8 121.7(4) . .
N1 C7 H7 119.1 . .
C8 C7 H7 119.1 . .
C9 C8 C7 118.9(5) . .
C9 C8 H8 120.6 . .
C7 C8 H8 120.6 . .
C8 C9 C10 119.6(4) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C9 C10 C11 119.0(4) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
N1 C11 C10 121.0(4) . .
N1 C11 C12 114.6(4) . .
C10 C11 C12 124.4(4) . .
N2 C12 C13 120.8(4) . .
N2 C12 C11 114.7(4) . .
C13 C12 C11 124.4(4) . .
C14 C13 C12 119.2(4) . .
C14 C13 H13 120.4 . .
C12 C13 H13 120.4 . .
C13 C14 C15 120.0(4) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 C16 118.0(5) . .
C14 C15 H15 121.0 . .
C16 C15 H15 121.0 . .
N2 C16 C15 122.6(4) . .
N2 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.929(3) 2_666
Cu1 O5 1.938(3) .
Cu1 N2 1.982(4) .
Cu1 N1 2.001(4) .
Cu1 O10 2.313(3) .
V1 O11 1.624(3) .
V1 O10 1.629(3) .
V1 O7 1.996(3) 1_556
V1 O9 2.004(3) 2_766
V1 O3 2.009(3) 2_666
P1 O3 1.517(3) .
P1 O1 1.519(3) .
P1 O2 1.560(3) .
P1 C1 1.788(4) .
P2 O5 1.499(3) .
P2 O4 1.521(3) .
P2 O6 1.569(3) .
P2 C3 1.796(4) .
P3 O9 1.506(3) .
P3 O7 1.510(3) .
P3 O8 1.565(3) .
P3 C5 1.794(4) .
P3 H8' 1.85(10) .
O1 Cu1 1.929(3) 2_666
O2 H2' 0.81(7) .
O3 V1 2.009(3) 2_666
O6 H6' 0.68(6) .
O7 V1 1.996(3) 1_554
O8 H8' 0.57(10) .
O9 V1 2.004(3) 2_766
N1 C7 1.345(6) .
N1 C11 1.345(6) .
N2 C16 1.341(6) .
N2 C12 1.350(6) .
C1 C6 1.391(6) .
C1 C2 1.397(6) .
C2 C3 1.404(6) .
C2 H2 0.9500 .
C3 C4 1.390(6) .
C4 C5 1.403(6) .
C4 H4 0.9500 .
C5 C6 1.391(6) .
C6 H6 0.9500 .
C7 C8 1.389(6) .
C7 H7 0.9500 .
C8 C9 1.378(7) .
C8 H8 0.9500 .
C9 C10 1.385(7) .
C9 H9 0.9500 .
C10 C11 1.397(6) .
C10 H10 0.9500 .
C11 C12 1.476(7) .
C12 C13 1.397(6) .
C13 C14 1.378(7) .
C13 H13 0.9500 .
C14 C15 1.381(7) .
C14 H14 0.9500 .
C15 C16 1.388(6) .
C15 H15 0.9500 .
C16 H16 0.9500 .
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
O3 P1 O1 Cu1 47.3(3) . 2_666
O2 P1 O1 Cu1 -80.7(3) . 2_666
C1 P1 O1 Cu1 167.6(2) . 2_666
O1 P1 O3 V1 -62.4(3) . 2_666
O2 P1 O3 V1 65.1(3) . 2_666
C1 P1 O3 V1 177.6(2) . 2_666
O4 P2 O5 Cu1 -19.2(3) . .
O6 P2 O5 Cu1 104.2(3) . .
C3 P2 O5 Cu1 -140.6(3) . .
O1 Cu1 O5 P2 75.7(3) 2_666 .
N2 Cu1 O5 P2 -111.4(3) . .
N1 Cu1 O5 P2 -163.6(7) . .
O10 Cu1 O5 P2 -18.0(3) . .
O9 P3 O7 V1 130.7(3) . 1_554
O8 P3 O7 V1 -106.4(3) . 1_554
C5 P3 O7 V1 8.6(3) . 1_554
O7 P3 O9 V1 -34.1(4) . 2_766
O8 P3 O9 V1 -157.4(3) . 2_766
C5 P3 O9 V1 87.8(3) . 2_766
O11 V1 O10 Cu1 69.8(3) . .
O7 V1 O10 Cu1 -110.1(2) 1_556 .
O9 V1 O10 Cu1 164.3(2) 2_766 .
O3 V1 O10 Cu1 -25.2(2) 2_666 .
O1 Cu1 O10 V1 33.7(2) 2_666 .
O5 Cu1 O10 V1 126.0(2) . .
N2 Cu1 O10 V1 -141.1(2) . .
N1 Cu1 O10 V1 -59.6(2) . .
O1 Cu1 N1 C7 -5.3(4) 2_666 .
O5 Cu1 N1 C7 -125.9(7) . .
N2 Cu1 N1 C7 -178.9(4) . .
O10 Cu1 N1 C7 87.8(4) . .
O1 Cu1 N1 C11 -176.4(3) 2_666 .
O5 Cu1 N1 C11 63.0(9) . .
N2 Cu1 N1 C11 10.1(3) . .
O10 Cu1 N1 C11 -83.3(3) . .
O1 Cu1 N2 C16 123.9(9) 2_666 .
O5 Cu1 N2 C16 4.4(4) . .
N1 Cu1 N2 C16 176.5(4) . .
O10 Cu1 N2 C16 -96.7(4) . .
O1 Cu1 N2 C12 -62.1(11) 2_666 .
O5 Cu1 N2 C12 178.4(3) . .
N1 Cu1 N2 C12 -9.5(3) . .
O10 Cu1 N2 C12 77.3(3) . .
O3 P1 C1 C6 26.5(4) . .
O1 P1 C1 C6 -97.3(4) . .
O2 P1 C1 C6 145.3(3) . .
O3 P1 C1 C2 -157.9(3) . .
O1 P1 C1 C2 78.3(4) . .
O2 P1 C1 C2 -39.1(4) . .
C6 C1 C2 C3 0.3(6) . .
P1 C1 C2 C3 -175.4(3) . .
C1 C2 C3 C4 -0.3(6) . .
C1 C2 C3 P2 174.8(3) . .
O5 P2 C3 C4 -126.2(3) . .
O4 P2 C3 C4 107.7(3) . .
O6 P2 C3 C4 -8.6(4) . .
O5 P2 C3 C2 58.8(4) . .
O4 P2 C3 C2 -67.3(4) . .
O6 P2 C3 C2 176.4(3) . .
C2 C3 C4 C5 0.5(6) . .
P2 C3 C4 C5 -174.5(3) . .
C3 C4 C5 C6 -0.8(6) . .
C3 C4 C5 P3 178.3(3) . .
O9 P3 C5 C6 118.1(4) . .
O7 P3 C5 C6 -116.6(4) . .
O8 P3 C5 C6 1.1(4) . .
O9 P3 C5 C4 -61.0(4) . .
O7 P3 C5 C4 64.3(4) . .
O8 P3 C5 C4 -178.0(3) . .
C4 C5 C6 C1 0.9(6) . .
P3 C5 C6 C1 -178.2(3) . .
C2 C1 C6 C5 -0.6(6) . .
P1 C1 C6 C5 175.0(3) . .
C11 N1 C7 C8 0.5(6) . .
Cu1 N1 C7 C8 -170.1(3) . .
N1 C7 C8 C9 0.4(7) . .
C7 C8 C9 C10 -0.8(7) . .
C8 C9 C10 C11 0.4(7) . .
C7 N1 C11 C10 -1.0(6) . .
Cu1 N1 C11 C10 170.7(3) . .
C7 N1 C11 C12 179.5(4) . .
Cu1 N1 C11 C12 -8.8(5) . .
C9 C10 C11 N1 0.5(7) . .
C9 C10 C11 C12 -180.0(4) . .
C16 N2 C12 C13 1.3(6) . .
Cu1 N2 C12 C13 -173.1(3) . .
C16 N2 C12 C11 -178.1(4) . .
Cu1 N2 C12 C11 7.5(5) . .
N1 C11 C12 N2 1.0(5) . .
C10 C11 C12 N2 -178.6(4) . .
N1 C11 C12 C13 -178.4(4) . .
C10 C11 C12 C13 2.1(7) . .
N2 C12 C13 C14 -0.6(7) . .
C11 C12 C13 C14 178.7(4) . .
C12 C13 C14 C15 -1.2(7) . .
C13 C14 C15 C16 2.3(7) . .
C12 N2 C16 C15 -0.2(7) . .
Cu1 N2 C16 C15 173.5(3) . .
C14 C15 C16 N2 -1.6(7) . .
