#------------------------------------------------------------------------------
#$Date: 2016-02-05 00:41:09 +0200 (Fri, 05 Feb 2016) $
#$Revision: 175978 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/33/7223328.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_7223328
loop_
_publ_author_name
'Narang, Shikha'
'Singh, Udai P.'
'Venugopalan, P.'
_publ_section_title
;
 Solvent-mediated supramolecular templated assembly of a metal
 organophosphonate via a crystal--amorphous--crystal transformation
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              54
_journal_paper_doi               10.1039/C5CE01594D
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C54 H48 Cu2 N6 O12 P2, 2(C H4 O)'
_chemical_formula_sum            'C56 H56 Cu2 N6 O14 P2'
_chemical_formula_weight         1226.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-27 deposited with the CCDC.
2015-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.251(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.129(3)
_cell_length_b                   14.638(4)
_cell_length_c                   16.334(4)
_cell_measurement_reflns_used    142
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.62
_cell_measurement_theta_min      2.30
_cell_volume                     2660.9(12)
_computing_cell_refinement       'Bruker kappa Apex'
_computing_data_collection       'Bruker kappa Apex'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker XSHELL'
_computing_publication_material  'Bruker XSHELL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  '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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            41474
_diffrn_reflns_theta_full        28.62
_diffrn_reflns_theta_max         28.62
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.808
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         6702
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0369P)²+2.0508P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0835
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                4775
_reflns_number_total             6702
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01594d2.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7223327--7223332.cif.
;
_cod_original_cell_volume        2660.8(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7223328
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu -0.01104(2) 0.371277(17) 0.103270(17) 0.01672(9) Uani 1 1 d . . 1
P1 P 0.17269(5) 0.51824(4) 0.02066(4) 0.01701(14) Uani 1 1 d . A 1
O1 O 0.07622(14) 0.48334(10) 0.07638(10) 0.0192(3) Uani 1 1 d . A 1
O2 O 0.28886(14) 0.54236(10) 0.07317(10) 0.0214(4) Uani 1 1 d . A 1
O3 O 0.14066(14) 0.60205(10) -0.02799(10) 0.0197(3) Uani 1 1 d . . 1
O4 O -0.10448(15) 0.44869(11) 0.20643(11) 0.0269(4) Uani 1 1 d . B 1
O5 O -0.2576(3) 0.48264(16) 0.2758(2) 0.1136(15) Uani 1 1 d . B 1
O6 O -0.22861(17) 0.34272(12) 0.24557(12) 0.0339(4) Uani 1 1 d . B 1
O7 O 0.51958(19) 0.45495(15) 0.34317(14) 0.0480(6) Uani 1 1 d . C 1
H7A H 0.5812 0.4611 0.3164 0.072 Uiso 1 1 calc R C 1
N1 N -0.06960(17) 0.24343(12) 0.11674(11) 0.0179(4) Uani 1 1 d . D 1
N2 N 0.11730(17) 0.32512(13) 0.17755(12) 0.0193(4) Uani 1 1 d . D 1
N3 N -0.1977(2) 0.42311(13) 0.24218(13) 0.0274(5) Uani 1 1 d . B 1
C1 C 0.2295(2) 0.43208(14) -0.04765(14) 0.0198(5) Uani 1 1 d . A 1
H1A H 0.1767 0.4298 -0.0950 0.024 Uiso 1 1 calc R A 1
H1B H 0.3076 0.4522 -0.0668 0.024 Uiso 1 1 calc R A 1
C2 C 0.2434(2) 0.33540(15) -0.01532(14) 0.0193(5) Uani 1 1 d . A 1
C3 C 0.1546(2) 0.26953(14) -0.03381(14) 0.0190(5) Uani 1 1 d . A 1
C4 C 0.0500(2) 0.28744(16) -0.08306(15) 0.0223(5) Uani 1 1 d . A 1
H4 H 0.0352 0.3469 -0.1006 0.027 Uiso 1 1 calc R A 1
C5 C -0.0282(2) 0.21993(16) -0.10491(15) 0.0244(5) Uani 1 1 d . A 1
H5 H -0.0936 0.2335 -0.1384 0.029 Uiso 1 1 calc R A 1
C6 C -0.0106(2) 0.12925(16) -0.07713(16) 0.0259(5) Uani 1 1 d . A 1
H6 H -0.0636 0.0833 -0.0930 0.031 Uiso 1 1 calc R A 1
C7 C 0.0837(2) 0.10955(15) -0.02728(16) 0.0257(6) Uani 1 1 d . A 1
H7 H 0.0926 0.0504 -0.0074 0.031 Uiso 1 1 calc R A 1
C8 C 0.1698(2) 0.17746(15) -0.00457(14) 0.0208(5) Uani 1 1 d . A 1
C9 C 0.2682(2) 0.15559(15) 0.04408(15) 0.0227(5) Uani 1 1 d . A 1
H9 H 0.2756 0.0965 0.0645 0.027 Uiso 1 1 calc R A 1
C10 C 0.3562(2) 0.22000(15) 0.06313(15) 0.0210(5) Uani 1 1 d . A 1
C11 C 0.4565(2) 0.19722(17) 0.11332(15) 0.0267(6) Uani 1 1 d . A 1
H11 H 0.4630 0.1384 0.1343 0.032 Uiso 1 1 calc R A 1
C12 C 0.5427(2) 0.25957(17) 0.13113(16) 0.0276(6) Uani 1 1 d . A 1
H12 H 0.6066 0.2437 0.1652 0.033 Uiso 1 1 calc R A 1
C13 C 0.5357(2) 0.34860(18) 0.09814(17) 0.0299(6) Uani 1 1 d . A 1
H13 H 0.5961 0.3908 0.1095 0.036 Uiso 1 1 calc R A 1
C14 C 0.4410(2) 0.37298(16) 0.04972(16) 0.0249(5) Uani 1 1 d . A 1
H14 H 0.4388 0.4317 0.0279 0.030 Uiso 1 1 calc R A 1
C15 C 0.3454(2) 0.31146(15) 0.03135(14) 0.0199(5) Uani 1 1 d . A 1
C16 C 0.2920(2) 0.62240(17) 0.12479(16) 0.0293(6) Uani 1 1 d . A 1
H16A H 0.2262 0.6209 0.1635 0.035 Uiso 1 1 calc R A 1
H16B H 0.2845 0.6772 0.0918 0.035 Uiso 1 1 calc R A 1
C17 C 0.4099(3) 0.6222(2) 0.1694(2) 0.0515(9) Uani 1 1 d . A 1
H17A H 0.4141 0.5699 0.2047 0.077 Uiso 1 1 calc R A 1
H17B H 0.4170 0.6769 0.2015 0.077 Uiso 1 1 calc R A 1
H17C H 0.4744 0.6197 0.1306 0.077 Uiso 1 1 calc R A 1
C18 C -0.1708(2) 0.20944(15) 0.08500(15) 0.0217(5) Uani 1 1 d . D 1
H18 H -0.2165 0.2457 0.0500 0.026 Uiso 1 1 calc R D 1
C19 C -0.2100(2) 0.12155(15) 0.10269(16) 0.0262(6) Uani 1 1 d . D 1
H19 H -0.2808 0.0990 0.0799 0.031 Uiso 1 1 calc R D 1
C20 C -0.1414(2) 0.06861(15) 0.15487(15) 0.0270(6) Uani 1 1 d . D 1
H20 H -0.1662 0.0098 0.1681 0.032 Uiso 1 1 calc R D 1
C21 C -0.0362(2) 0.10296(16) 0.18736(15) 0.0252(6) Uani 1 1 d . D 1
H21 H 0.0110 0.0674 0.2221 0.030 Uiso 1 1 calc R D 1
C22 C -0.0018(2) 0.19130(15) 0.16752(14) 0.0193(5) Uani 1 1 d . D 1
C23 C 0.1068(2) 0.23670(15) 0.19903(14) 0.0205(5) Uani 1 1 d . D 1
C24 C 0.1929(2) 0.19474(17) 0.24795(15) 0.0266(6) Uani 1 1 d . D 1
H24 H 0.1862 0.1331 0.2609 0.032 Uiso 1 1 calc R D 1
C25 C 0.2883(2) 0.24522(19) 0.27709(15) 0.0288(6) Uani 1 1 d . D 1
H25 H 0.3463 0.2180 0.3103 0.035 Uiso 1 1 calc R D 1
C26 C 0.2974(2) 0.33661(18) 0.25665(15) 0.0270(6) Uani 1 1 d . D 1
H26 H 0.3603 0.3722 0.2765 0.032 Uiso 1 1 calc R D 1
C27 C 0.2110(2) 0.37360(17) 0.20625(15) 0.0232(5) Uani 1 1 d . D 1
H27 H 0.2176 0.4347 0.1914 0.028 Uiso 1 1 calc R D 1
C28 C 0.5424(4) 0.3991(3) 0.4100(2) 0.0821(14) Uani 1 1 d . C 1
H28A H 0.6038 0.4262 0.4436 0.123 Uiso 1 1 calc R C 1
H28B H 0.5689 0.3403 0.3913 0.123 Uiso 1 1 calc R C 1
H28C H 0.4703 0.3921 0.4415 0.123 Uiso 1 1 calc R C 1
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'
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
O3 Cu1 O1 93.30(6) 3_565 .
O3 Cu1 N2 171.80(7) 3_565 .
O1 Cu1 N2 93.78(7) . .
O3 Cu1 N1 90.94(7) 3_565 .
O1 Cu1 N1 166.91(7) . .
N2 Cu1 N1 81.26(8) . .
O3 Cu1 O4 91.62(7) 3_565 .
O1 Cu1 O4 88.73(6) . .
N2 Cu1 O4 92.66(7) . .
N1 Cu1 O4 103.53(7) . .
O1 P1 O3 115.47(9) . .
O1 P1 O2 109.34(9) . .
O3 P1 O2 107.14(9) . .
O1 P1 C1 113.06(10) . .
O3 P1 C1 109.09(10) . .
O2 P1 C1 101.71(10) . .
P1 O1 Cu1 141.15(10) . .
C16 O2 P1 120.90(15) . .
P1 O3 Cu1 132.54(9) . 3_565
N3 O4 Cu1 125.26(14) . .
C18 N1 C22 119.67(19) . .
C18 N1 Cu1 125.66(15) . .
C22 N1 Cu1 114.51(15) . .
C27 N2 C23 119.0(2) . .
C27 N2 Cu1 125.98(16) . .
C23 N2 Cu1 115.00(16) . .
O6 N3 O5 120.5(2) . .
O6 N3 O4 122.8(2) . .
O5 N3 O4 116.7(2) . .
C2 C1 P1 118.22(17) . .
C2 C1 H1A 107.8 . .
P1 C1 H1A 107.8 . .
C2 C1 H1B 107.8 . .
P1 C1 H1B 107.8 . .
H1A C1 H1B 107.1 . .
C15 C2 C3 120.5(2) . .
C15 C2 C1 120.0(2) . .
C3 C2 C1 119.5(2) . .
C2 C3 C4 124.0(2) . .
C2 C3 C8 119.2(2) . .
C4 C3 C8 116.8(2) . .
C5 C4 C3 121.9(2) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 120.6(2) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C7 C6 C5 119.8(2) . .
C7 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C6 C7 C8 121.6(2) . .
C6 C7 H7 119.2 . .
C8 C7 H7 119.2 . .
C9 C8 C7 121.0(2) . .
C9 C8 C3 119.8(2) . .
C7 C8 C3 119.2(2) . .
C8 C9 C10 121.6(2) . .
C8 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C9 C10 C11 121.3(2) . .
C9 C10 C15 119.4(2) . .
C11 C10 C15 119.3(2) . .
C12 C11 C10 121.3(2) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 C13 120.1(2) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C14 C13 C12 120.3(2) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C13 C14 C15 122.1(2) . .
C13 C14 H14 118.9 . .
C15 C14 H14 118.9 . .
C2 C15 C14 123.8(2) . .
C2 C15 C10 119.5(2) . .
C14 C15 C10 116.8(2) . .
O2 C16 C17 107.5(2) . .
O2 C16 H16A 110.2 . .
C17 C16 H16A 110.2 . .
O2 C16 H16B 110.2 . .
C17 C16 H16B 110.2 . .
H16A C16 H16B 108.5 . .
N1 C18 C19 122.0(2) . .
N1 C18 H18 119.0 . .
C19 C18 H18 119.0 . .
C20 C19 C18 118.4(2) . .
C20 C19 H19 120.8 . .
C18 C19 H19 120.8 . .
C21 C20 C19 120.0(2) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 119.0(2) . .
C20 C21 H21 120.5 . .
C22 C21 H21 120.5 . .
N1 C22 C21 121.0(2) . .
N1 C22 C23 114.49(19) . .
C21 C22 C23 124.5(2) . .
N2 C23 C24 121.0(2) . .
N2 C23 C22 114.6(2) . .
C24 C23 C22 124.4(2) . .
C25 C24 C23 119.4(2) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 119.5(2) . .
C24 C25 H25 120.2 . .
C26 C25 H25 120.2 . .
C27 C26 C25 118.3(2) . .
C27 C26 H26 120.8 . .
C25 C26 H26 120.8 . .
N2 C27 C26 122.7(2) . .
N2 C27 H27 118.6 . .
C26 C27 H27 118.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.9312(16) 3_565
Cu1 O1 1.9571(15) .
Cu1 N2 1.9882(19) .
Cu1 N1 1.9941(18) .
Cu1 O4 2.2848(17) .
P1 O1 1.5001(17) .
P1 O3 1.5037(16) .
P1 O2 1.5880(17) .
P1 C1 1.801(2) .
O2 C16 1.444(3) .
O3 Cu1 1.9313(16) 3_565
O4 N3 1.250(3) .
O5 N3 1.228(3) .
O6 N3 1.227(3) .
O7 C28 1.387(4) .
O7 H7A 0.8200 .
N1 C18 1.334(3) .
N1 C22 1.354(3) .
N2 C27 1.344(3) .
N2 C23 1.346(3) .
C1 C2 1.518(3) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C15 1.408(3) .
C2 C3 1.412(3) .
C3 C4 1.436(3) .
C3 C8 1.440(3) .
C4 C5 1.363(3) .
C4 H4 0.9300 .
C5 C6 1.416(3) .
C5 H5 0.9300 .
C6 C7 1.357(4) .
C6 H6 0.9300 .
C7 C8 1.428(3) .
C7 H7 0.9300 .
C8 C9 1.387(3) .
C9 C10 1.393(3) .
C9 H9 0.9300 .
C10 C11 1.422(3) .
C10 C15 1.441(3) .
C11 C12 1.355(4) .
C11 H11 0.9300 .
C12 C13 1.412(3) .
C12 H12 0.9300 .
C13 C14 1.362(3) .
C13 H13 0.9300 .
C14 C15 1.425(3) .
C14 H14 0.9300 .
C16 C17 1.498(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.389(3) .
C18 H18 0.9300 .
C19 C20 1.380(4) .
C19 H19 0.9300 .
C20 C21 1.378(4) .
C20 H20 0.9300 .
C21 C22 1.388(3) .
C21 H21 0.9300 .
C22 C23 1.470(3) .
C23 C24 1.388(3) .
C24 C25 1.377(4) .
C24 H24 0.9300 .
C25 C26 1.382(4) .
C25 H25 0.9300 .
C26 C27 1.374(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
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 128.28(15) . .
O2 P1 O1 Cu1 -110.86(15) . .
C1 P1 O1 Cu1 1.7(2) . .
O3 Cu1 O1 P1 -93.16(16) 3_565 .
N2 Cu1 O1 P1 82.71(16) . .
N1 Cu1 O1 P1 15.6(4) . .
O4 Cu1 O1 P1 175.29(16) . .
O1 P1 O2 C16 -73.34(19) . .
O3 P1 O2 C16 52.5(2) . .
C1 P1 O2 C16 166.88(18) . .
O1 P1 O3 Cu1 -56.20(16) . 3_565
O2 P1 O3 Cu1 -178.24(12) . 3_565
C1 P1 O3 Cu1 72.40(16) . 3_565
O3 Cu1 O4 N3 70.13(19) 3_565 .
O1 Cu1 O4 N3 163.40(19) . .
N2 Cu1 O4 N3 -102.87(19) . .
N1 Cu1 O4 N3 -21.2(2) . .
O3 Cu1 N1 C18 -5.59(19) 3_565 .
O1 Cu1 N1 C18 -114.6(3) . .
N2 Cu1 N1 C18 177.0(2) . .
O4 Cu1 N1 C18 86.30(19) . .
O3 Cu1 N1 C22 179.09(16) 3_565 .
O1 Cu1 N1 C22 70.1(4) . .
N2 Cu1 N1 C22 1.63(15) . .
O4 Cu1 N1 C22 -89.02(16) . .
O1 Cu1 N2 C27 12.61(19) . .
N1 Cu1 N2 C27 -179.6(2) . .
O4 Cu1 N2 C27 -76.29(19) . .
O1 Cu1 N2 C23 -166.74(16) . .
N1 Cu1 N2 C23 1.07(16) . .
O4 Cu1 N2 C23 104.36(16) . .
Cu1 O4 N3 O6 24.1(3) . .
Cu1 O4 N3 O5 -157.1(3) . .
O1 P1 C1 C2 -37.7(2) . .
O3 P1 C1 C2 -167.59(17) . .
O2 P1 C1 C2 79.45(19) . .
P1 C1 C2 C15 -81.4(3) . .
P1 C1 C2 C3 99.8(2) . .
C15 C2 C3 C4 -178.0(2) . .
C1 C2 C3 C4 0.8(3) . .
C15 C2 C3 C8 -0.2(3) . .
C1 C2 C3 C8 178.6(2) . .
C2 C3 C4 C5 174.5(2) . .
C8 C3 C4 C5 -3.4(3) . .
C3 C4 C5 C6 2.1(4) . .
C4 C5 C6 C7 1.0(4) . .
C5 C6 C7 C8 -2.8(4) . .
C6 C7 C8 C9 -177.7(2) . .
C6 C7 C8 C3 1.4(4) . .
C2 C3 C8 C9 2.8(3) . .
C4 C3 C8 C9 -179.3(2) . .
C2 C3 C8 C7 -176.3(2) . .
C4 C3 C8 C7 1.6(3) . .
C7 C8 C9 C10 176.6(2) . .
C3 C8 C9 C10 -2.5(3) . .
C8 C9 C10 C11 179.7(2) . .
C8 C9 C10 C15 -0.3(4) . .
C9 C10 C11 C12 179.3(2) . .
C15 C10 C11 C12 -0.7(4) . .
C10 C11 C12 C13 -1.5(4) . .
C11 C12 C13 C14 1.5(4) . .
C12 C13 C14 C15 0.9(4) . .
C3 C2 C15 C14 177.4(2) . .
C1 C2 C15 C14 -1.4(3) . .
C3 C2 C15 C10 -2.6(3) . .
C1 C2 C15 C10 178.7(2) . .
C13 C14 C15 C2 177.0(2) . .
C13 C14 C15 C10 -3.1(4) . .
C9 C10 C15 C2 2.9(3) . .
C11 C10 C15 C2 -177.2(2) . .
C9 C10 C15 C14 -177.1(2) . .
C11 C10 C15 C14 2.9(3) . .
P1 O2 C16 C17 176.53(19) . .
C22 N1 C18 C19 0.3(3) . .
Cu1 N1 C18 C19 -174.75(17) . .
N1 C18 C19 C20 0.1(4) . .
C18 C19 C20 C21 -0.7(4) . .
C19 C20 C21 C22 0.7(4) . .
C18 N1 C22 C21 -0.2(3) . .
Cu1 N1 C22 C21 175.38(17) . .
C18 N1 C22 C23 -179.5(2) . .
Cu1 N1 C22 C23 -3.8(2) . .
C20 C21 C22 N1 -0.3(3) . .
C20 C21 C22 C23 178.8(2) . .
C27 N2 C23 C24 -2.0(3) . .
Cu1 N2 C23 C24 177.38(17) . .
C27 N2 C23 C22 177.2(2) . .
Cu1 N2 C23 C22 -3.4(2) . .
N1 C22 C23 N2 4.8(3) . .
C21 C22 C23 N2 -174.4(2) . .
N1 C22 C23 C24 -176.0(2) . .
C21 C22 C23 C24 4.8(4) . .
N2 C23 C24 C25 2.2(4) . .
C22 C23 C24 C25 -177.0(2) . .
C23 C24 C25 C26 -0.5(4) . .
C24 C25 C26 C27 -1.2(4) . .
C23 N2 C27 C26 0.3(3) . .
Cu1 N2 C27 C26 -179.07(18) . .
C25 C26 C27 N2 1.3(4) . .
