#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:57:47 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179086 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/48/4304896.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_4304896
loop_
_publ_author_name
'Vadapalli Chandrasekhar'
'Gurusamy Thangavelu Senthil Andavan'
'Ramachandran Azhakar'
'Balasubramanian Murugesa Pandian'
_publ_section_title
;
Cyclophosphazene-Supported Tetranuclear Copper Assembly Containing 15
Contiguous Inorganic Rings
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1922
_journal_page_last               1924
_journal_paper_doi               10.1021/ic702500n
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C44 H42 Cu2 N11 O4 P3'
_chemical_formula_weight         1008.88
_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           SHELXTL
_cell_angle_alpha                104.97(3)
_cell_angle_beta                 101.40(3)
_cell_angle_gamma                107.64(3)
_cell_formula_units_Z            2
_cell_length_a                   11.171(2)
_cell_length_b                   14.508(3)
_cell_length_c                   18.592(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2646.5(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0872
_diffrn_reflns_av_sigmaI/netI    0.1237
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            17421
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.942
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .1
_refine_diff_density_max         0.925
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         8479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.1066
_refine_ls_R_factor_gt           0.0672
_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)+(0.1034P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1572
_refine_ls_wR_factor_ref         0.1775
_reflns_number_gt                4658
_reflns_number_total             9017
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702500n-file002.cif
_cod_data_source_block           squeezed
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2646.5(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4304896
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 0.60082(6) 0.48445(6) 0.40185(5) 0.0414(2) Uani 1 1 d . . .
Cu2 Cu -0.07093(6) 0.41058(6) 0.03870(5) 0.0390(2) Uani 1 1 d . . .
P1 P 0.17087(13) 0.12172(13) 0.16164(10) 0.0361(4) Uani 1 1 d . . .
P2 P 0.29835(13) 0.32930(13) 0.24690(10) 0.0375(4) Uani 1 1 d . . .
P3 P 0.10432(13) 0.26367(13) 0.10448(10) 0.0368(4) Uani 1 1 d . . .
N1 N 0.2503(4) 0.2144(4) 0.2452(3) 0.0402(13) Uani 1 1 d . . .
N2 N 0.2114(4) 0.3550(4) 0.1805(3) 0.0414(14) Uani 1 1 d . . .
N3 N 0.1130(4) 0.1531(4) 0.0879(3) 0.0388(13) Uani 1 1 d . . .
N4 N 0.4525(4) 0.3696(4) 0.2407(3) 0.0391(13) Uani 1 1 d . . .
N5 N 0.5509(4) 0.3722(4) 0.3056(3) 0.0358(12) Uani 1 1 d . . .
N6 N 0.3096(4) 0.3988(4) 0.3376(3) 0.0406(13) Uani 1 1 d . . .
N7 N 0.4201(4) 0.4911(4) 0.3813(3) 0.0381(13) Uani 1 1 d . . .
N8 N 0.1125(4) 0.2969(4) 0.0248(3) 0.0408(14) Uani 1 1 d . . .
N9 N 0.0030(4) 0.3178(4) -0.0163(3) 0.0387(13) Uani 1 1 d . . .
N10 N -0.0474(4) 0.2531(4) 0.1098(3) 0.0362(12) Uani 1 1 d . . .
N11 N -0.0668(4) 0.3486(4) 0.1222(3) 0.0388(13) Uani 1 1 d . . .
O1 O 0.7468(3) 0.4525(4) 0.4479(3) 0.0438(11) Uani 1 1 d . . .
O2 O 0.6856(4) 0.6210(4) 0.4710(3) 0.0514(12) Uani 1 1 d . . .
O3 O -0.1359(4) 0.4374(4) -0.0575(3) 0.0417(11) Uani 1 1 d . . .
O4 O -0.1356(3) 0.5069(3) 0.0931(3) 0.0416(11) Uani 1 1 d . . .
C1 C 0.0362(5) 0.0297(5) 0.1765(4) 0.0376(15) Uani 1 1 d . . .
C2 C 0.0307(6) 0.0331(5) 0.2515(4) 0.0495(18) Uani 1 1 d . . .
H2 H 0.0986 0.0820 0.2948 0.059 Uiso 1 1 calc R . .
C3 C -0.0775(7) -0.0374(6) 0.2614(5) 0.060(2) Uani 1 1 d . . .
H3 H -0.0794 -0.0377 0.3111 0.072 Uiso 1 1 calc R . .
C4 C -0.1816(6) -0.1064(6) 0.1965(5) 0.058(2) Uani 1 1 d . . .
H4 H -0.2558 -0.1498 0.2032 0.070 Uiso 1 1 calc R . .
C5 C -0.1765(6) -0.1117(5) 0.1209(5) 0.0503(19) Uani 1 1 d . . .
H5 H -0.2454 -0.1603 0.0780 0.060 Uiso 1 1 calc R . .
C6 C -0.0684(6) -0.0442(6) 0.1099(4) 0.0480(18) Uani 1 1 d . . .
H6 H -0.0647 -0.0474 0.0599 0.058 Uiso 1 1 calc R . .
C7 C 0.2824(5) 0.0595(5) 0.1378(4) 0.0398(15) Uani 1 1 d . . .
C8 C 0.3598(5) 0.0938(5) 0.0916(4) 0.0462(17) Uani 1 1 d . . .
H8 H 0.3451 0.1399 0.0676 0.055 Uiso 1 1 calc R . .
C9 C 0.4604(6) 0.0558(6) 0.0829(5) 0.054(2) Uani 1 1 d . . .
H9 H 0.5117 0.0767 0.0520 0.065 Uiso 1 1 calc R . .
C10 C 0.4842(6) -0.0105(7) 0.1185(5) 0.066(2) Uani 1 1 d . . .
H10 H 0.5530 -0.0326 0.1130 0.080 Uiso 1 1 calc R . .
C11 C 0.4070(7) -0.0455(7) 0.1628(5) 0.063(2) Uani 1 1 d . . .
H11 H 0.4211 -0.0927 0.1858 0.075 Uiso 1 1 calc R . .
C12 C 0.3072(6) -0.0085(6) 0.1724(5) 0.056(2) Uani 1 1 d . . .
H12 H 0.2562 -0.0305 0.2031 0.067 Uiso 1 1 calc R . .
C13 C 0.5035(6) 0.4620(6) 0.2177(4) 0.0489(18) Uani 1 1 d . . .
H13A H 0.5332 0.5232 0.2625 0.073 Uiso 1 1 calc R . .
H13B H 0.4345 0.4631 0.1783 0.073 Uiso 1 1 calc R . .
H13C H 0.5756 0.4592 0.1976 0.073 Uiso 1 1 calc R . .
C14 C 0.5998(5) 0.3025(5) 0.2893(4) 0.0403(16) Uani 1 1 d . . .
H14 H 0.5621 0.2520 0.2401 0.048 Uiso 1 1 calc R . .
C15 C 0.7089(5) 0.2972(5) 0.3420(4) 0.0405(16) Uani 1 1 d . . .
C16 C 0.7559(6) 0.2187(6) 0.3165(5) 0.0526(19) Uani 1 1 d . . .
H16 H 0.7107 0.1685 0.2676 0.063 Uiso 1 1 calc R . .
C17 C 0.8653(6) 0.2131(6) 0.3608(5) 0.059(2) Uani 1 1 d . . .
H17 H 0.8940 0.1603 0.3423 0.071 Uiso 1 1 calc R . .
C18 C 0.9334(6) 0.2890(7) 0.4346(5) 0.062(2) Uani 1 1 d . . .
H18 H 1.0086 0.2863 0.4646 0.074 Uiso 1 1 calc R . .
C19 C 0.8925(5) 0.3661(6) 0.4635(4) 0.0463(17) Uani 1 1 d . . .
H19 H 0.9387 0.4140 0.5132 0.056 Uiso 1 1 calc R . .
C20 C 0.7793(5) 0.3748(5) 0.4184(4) 0.0414(16) Uani 1 1 d . . .
C21 C 0.1841(5) 0.3847(6) 0.3561(4) 0.0464(17) Uani 1 1 d . . .
H21A H 0.2006 0.4036 0.4116 0.070 Uiso 1 1 calc R . .
H21B H 0.1259 0.3139 0.3314 0.070 Uiso 1 1 calc R . .
H21C H 0.1442 0.4274 0.3373 0.070 Uiso 1 1 calc R . .
C22 C 0.3978(5) 0.5663(5) 0.4213(4) 0.0420(16) Uani 1 1 d . . .
H22 H 0.3100 0.5564 0.4165 0.050 Uiso 1 1 calc R . .
C23 C 0.4949(6) 0.6661(5) 0.4737(4) 0.0420(16) Uani 1 1 d . . .
C24 C 0.4499(6) 0.7434(6) 0.5053(4) 0.055(2) Uani 1 1 d . . .
H24 H 0.3596 0.7281 0.4923 0.066 Uiso 1 1 calc R . .
C25 C 0.5327(7) 0.8400(7) 0.5544(5) 0.066(2) Uani 1 1 d . . .
H25 H 0.4997 0.8898 0.5736 0.080 Uiso 1 1 calc R . .
C26 C 0.6695(8) 0.8622(7) 0.5752(5) 0.072(2) Uani 1 1 d . . .
H26 H 0.7274 0.9274 0.6084 0.087 Uiso 1 1 calc R . .
C27 C 0.7177(6) 0.7898(6) 0.5475(5) 0.059(2) Uani 1 1 d . . .
H27 H 0.8083 0.8068 0.5630 0.071 Uiso 1 1 calc R . .
C28 C 0.6349(6) 0.6882(5) 0.4954(4) 0.0459(17) Uani 1 1 d . . .
C29 C 0.2405(5) 0.3592(6) 0.0214(4) 0.0476(18) Uani 1 1 d . . .
H29A H 0.2386 0.3477 -0.0321 0.071 Uiso 1 1 calc R . .
H29B H 0.3079 0.3401 0.0470 0.071 Uiso 1 1 calc R . .
H29C H 0.2591 0.4307 0.0472 0.071 Uiso 1 1 calc R . .
C30 C -0.0318(5) 0.2724(5) -0.0925(4) 0.0370(15) Uani 1 1 d . . .
H30 H 0.0053 0.2253 -0.1111 0.044 Uiso 1 1 calc R . .
C31 C -0.1225(5) 0.2898(5) -0.1493(4) 0.0383(15) Uani 1 1 d . . .
C32 C -0.1532(6) 0.2294(5) -0.2291(4) 0.0459(17) Uani 1 1 d . . .
H32 H -0.1219 0.1765 -0.2412 0.055 Uiso 1 1 calc R . .
C33 C -0.2269(7) 0.2464(7) -0.2882(5) 0.062(2) Uani 1 1 d . . .
H33 H -0.2489 0.2047 -0.3399 0.075 Uiso 1 1 calc R . .
C34 C -0.2683(8) 0.3292(7) -0.2685(5) 0.068(2) Uani 1 1 d . . .
H34 H -0.3178 0.3423 -0.3083 0.081 Uiso 1 1 calc R . .
C35 C -0.2384(6) 0.3928(6) -0.1916(4) 0.0542(19) Uani 1 1 d . . .
H35 H -0.2665 0.4477 -0.1809 0.065 Uiso 1 1 calc R . .
C36 C -0.1652(5) 0.3731(5) -0.1301(4) 0.0399(16) Uani 1 1 d . . .
C37 C -0.1661(5) 0.1634(5) 0.0569(4) 0.0500(19) Uani 1 1 d . . .
H37A H -0.2351 0.1548 0.0812 0.075 Uiso 1 1 calc R . .
H37B H -0.1455 0.1026 0.0464 0.075 Uiso 1 1 calc R . .
H37C H -0.1947 0.1746 0.0088 0.075 Uiso 1 1 calc R . .
C38 C -0.0805(5) 0.3867(5) 0.1907(4) 0.0412(16) Uani 1 1 d . . .
H38 H -0.0724 0.3508 0.2250 0.049 Uiso 1 1 calc R . .
C39 C -0.1064(5) 0.4769(5) 0.2174(4) 0.0401(16) Uani 1 1 d . . .
C40 C -0.1080(5) 0.5118(6) 0.2957(4) 0.0444(17) Uani 1 1 d . . .
H40 H -0.0907 0.4747 0.3277 0.053 Uiso 1 1 calc R . .
C41 C -0.1337(6) 0.5970(6) 0.3261(5) 0.0514(19) Uani 1 1 d . . .
H41 H -0.1321 0.6192 0.3781 0.062 Uiso 1 1 calc R . .
C42 C -0.1629(6) 0.6502(6) 0.2758(4) 0.0487(18) Uani 1 1 d . . .
H42 H -0.1820 0.7082 0.2950 0.058 Uiso 1 1 calc R . .
C43 C -0.1642(5) 0.6191(6) 0.1993(4) 0.0501(19) Uani 1 1 d . . .
H43 H -0.1855 0.6561 0.1682 0.060 Uiso 1 1 calc R . .
C44 C -0.1346(5) 0.5336(5) 0.1666(4) 0.0414(16) 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'
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
_geom_angle_publ_flag
O2 Cu1 N5 156.3(2) . . ?
O2 Cu1 O1 89.6(2) . . ?
N5 Cu1 O1 92.2(2) . . ?
O2 Cu1 N7 94.2(2) . . ?
N5 Cu1 N7 93.0(2) . . ?
O1 Cu1 N7 157.79(19) . . ?
O4 Cu2 N9 177.18(18) . . ?
O4 Cu2 O3 88.69(19) . . ?
N9 Cu2 O3 90.9(2) . . ?
O4 Cu2 N11 90.8(2) . . ?
N9 Cu2 N11 90.5(2) . . ?
O3 Cu2 N11 160.65(18) . . ?
N3 P1 N1 117.3(3) . . ?
N3 P1 C7 108.7(3) . . ?
N1 P1 C7 106.8(3) . . ?
N3 P1 C1 108.8(3) . . ?
N1 P1 C1 107.3(3) . . ?
C7 P1 C1 107.7(3) . . ?
N1 P2 N2 117.1(3) . . ?
N1 P2 N4 111.6(3) . . ?
N2 P2 N4 105.8(3) . . ?
N1 P2 N6 104.4(3) . . ?
N2 P2 N6 112.4(3) . . ?
N4 P2 N6 105.0(2) . . ?
N3 P3 N2 117.1(3) . . ?
N3 P3 N10 108.5(2) . . ?
N2 P3 N10 109.1(3) . . ?
N3 P3 N8 107.8(3) . . ?
N2 P3 N8 109.4(3) . . ?
N10 P3 N8 104.2(2) . . ?
P2 N1 P1 119.0(3) . . ?
P3 N2 P2 120.4(3) . . ?
P3 N3 P1 118.7(3) . . ?
N5 N4 C13 110.2(4) . . ?
N5 N4 P2 114.1(4) . . ?
C13 N4 P2 120.5(4) . . ?
C14 N5 N4 114.8(5) . . ?
C14 N5 Cu1 128.7(4) . . ?
N4 N5 Cu1 116.4(4) . . ?
N7 N6 C21 119.0(5) . . ?
N7 N6 P2 120.7(4) . . ?
C21 N6 P2 116.1(4) . . ?
C22 N7 N6 117.1(4) . . ?
C22 N7 Cu1 122.1(4) . . ?
N6 N7 Cu1 118.4(4) . . ?
N9 N8 C29 113.0(4) . . ?
N9 N8 P3 119.3(3) . . ?
C29 N8 P3 119.1(4) . . ?
C30 N9 N8 112.2(5) . . ?
C30 N9 Cu2 125.7(4) . . ?
N8 N9 Cu2 122.0(4) . . ?
N11 N10 C37 112.8(5) . . ?
N11 N10 P3 112.8(3) . . ?
C37 N10 P3 121.7(4) . . ?
C38 N11 N10 114.1(5) . . ?
C38 N11 Cu2 126.1(5) . . ?
N10 N11 Cu2 119.8(4) . . ?
C20 O1 Cu1 128.0(4) . . ?
C28 O2 Cu1 129.1(4) . . ?
C36 O3 Cu2 125.1(4) . . ?
C44 O4 Cu2 129.2(4) . . ?
C2 C1 C6 120.2(5) . . ?
C2 C1 P1 121.2(5) . . ?
C6 C1 P1 118.6(5) . . ?
C1 C2 C3 120.0(6) . . ?
C4 C3 C2 119.5(7) . . ?
C3 C4 C5 121.0(6) . . ?
C6 C5 C4 120.1(7) . . ?
C5 C6 C1 119.1(6) . . ?
C12 C7 C8 119.4(6) . . ?
C12 C7 P1 121.6(5) . . ?
C8 C7 P1 118.3(5) . . ?
C7 C8 C9 117.9(7) . . ?
C10 C9 C8 121.7(6) . . ?
C9 C10 C11 120.5(6) . . ?
C10 C11 C12 118.7(7) . . ?
C7 C12 C11 121.9(6) . . ?
N5 C14 C15 124.5(6) . . ?
C16 C15 C14 119.1(6) . . ?
C16 C15 C20 118.4(6) . . ?
C14 C15 C20 122.3(6) . . ?
C17 C16 C15 122.7(7) . . ?
C16 C17 C18 118.6(7) . . ?
C19 C18 C17 121.9(7) . . ?
C18 C19 C20 120.9(7) . . ?
O1 C20 C19 118.4(6) . . ?
O1 C20 C15 124.1(6) . . ?
C19 C20 C15 117.5(6) . . ?
N7 C22 C23 127.1(5) . . ?
C24 C23 C28 118.8(6) . . ?
C24 C23 C22 118.3(5) . . ?
C28 C23 C22 122.9(6) . . ?
C25 C24 C23 123.1(6) . . ?
C24 C25 C26 118.2(8) . . ?
C27 C26 C25 121.0(8) . . ?
C26 C27 C28 122.7(7) . . ?
O2 C28 C27 120.4(6) . . ?
O2 C28 C23 123.3(6) . . ?
C27 C28 C23 116.3(6) . . ?
N9 C30 C31 125.4(6) . . ?
C36 C31 C32 119.6(6) . . ?
C36 C31 C30 122.5(6) . . ?
C32 C31 C30 117.2(6) . . ?
C33 C32 C31 122.2(7) . . ?
C32 C33 C34 117.6(8) . . ?
C35 C34 C33 122.8(7) . . ?
C34 C35 C36 119.4(7) . . ?
O3 C36 C35 117.5(6) . . ?
O3 C36 C31 124.2(6) . . ?
C35 C36 C31 118.3(6) . . ?
N11 C38 C39 126.4(6) . . ?
C38 C39 C40 119.0(6) . . ?
C38 C39 C44 122.0(6) . . ?
C40 C39 C44 119.0(6) . . ?
C41 C40 C39 123.0(7) . . ?
C40 C41 C42 117.2(7) . . ?
C43 C42 C41 122.1(7) . . ?
C42 C43 C44 122.2(7) . . ?
O4 C44 C43 120.4(6) . . ?
O4 C44 C39 123.3(6) . . ?
C43 C44 C39 116.3(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O2 1.882(5) . ?
Cu1 N5 1.927(5) . ?
Cu1 O1 1.928(4) . ?
Cu1 N7 2.016(5) . ?
Cu2 O4 1.915(4) . ?
Cu2 N9 1.958(5) . ?
Cu2 O3 1.974(4) . ?
Cu2 N11 1.985(5) . ?
P1 N3 1.630(5) . ?
P1 N1 1.632(6) . ?
P1 C7 1.804(6) . ?
P1 C1 1.805(5) . ?
P2 N1 1.578(5) . ?
P2 N2 1.609(5) . ?
P2 N4 1.681(4) . ?
P2 N6 1.685(6) . ?
P3 N3 1.590(6) . ?
P3 N2 1.608(5) . ?
P3 N10 1.680(4) . ?
P3 N8 1.682(5) . ?
N4 N5 1.447(7) . ?
N4 C13 1.495(8) . ?
N5 C14 1.286(8) . ?
N6 N7 1.420(7) . ?
N6 C21 1.475(6) . ?
N7 C22 1.274(8) . ?
N8 N9 1.465(7) . ?
N8 C29 1.466(6) . ?
N9 C30 1.318(8) . ?
N10 N11 1.434(7) . ?
N10 C37 1.482(8) . ?
N11 C38 1.310(8) . ?
O1 C20 1.308(8) . ?
O2 C28 1.298(8) . ?
O3 C36 1.337(8) . ?
O4 C44 1.319(8) . ?
C1 C2 1.396(9) . ?
C1 C6 1.425(9) . ?
C2 C3 1.407(8) . ?
C3 C4 1.388(10) . ?
C4 C5 1.400(10) . ?
C5 C6 1.393(8) . ?
C7 C12 1.376(10) . ?
C7 C8 1.408(8) . ?
C8 C9 1.412(9) . ?
C9 C10 1.360(11) . ?
C10 C11 1.383(11) . ?
C11 C12 1.397(9) . ?
C14 C15 1.441(8) . ?
C15 C16 1.407(9) . ?
C15 C20 1.449(9) . ?
C16 C17 1.369(10) . ?
C17 C18 1.405(11) . ?
C18 C19 1.359(10) . ?
C19 C20 1.432(9) . ?
C22 C23 1.457(9) . ?
C23 C24 1.405(10) . ?
C23 C28 1.446(8) . ?
C24 C25 1.369(11) . ?
C25 C26 1.412(10) . ?
C26 C27 1.352(11) . ?
C27 C28 1.431(10) . ?
C30 C31 1.440(8) . ?
C31 C36 1.417(9) . ?
C31 C32 1.426(9) . ?
C32 C33 1.361(10) . ?
C33 C34 1.403(11) . ?
C34 C35 1.397(11) . ?
C35 C36 1.414(9) . ?
C38 C39 1.412(9) . ?
C39 C40 1.418(9) . ?
C39 C44 1.452(9) . ?
C40 C41 1.360(10) . ?
C41 C42 1.408(10) . ?
C42 C43 1.371(10) . ?
C43 C44 1.399(10) . ?
