#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:34:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180440 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/09/7210933.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_7210933
loop_
_publ_author_name
'Zhou, Pei'
'Yao, Jian-feng'
'Sheng, Chuan-fang'
'Li, Hui'
_publ_section_title
;
 A continuing tale of chirality: metal coordination extended axial
 chirality of 4,4′-bipy to 1D infinite chain under cooperation of a
 nucleotide ligand
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              8430
_journal_paper_doi               10.1039/c3ce40977e
_journal_volume                  15
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_sum            'C38 H74 N10 Ni2 O33 P2'
_chemical_formula_weight         1378.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.387(3)
_cell_length_b                   18.193(4)
_cell_length_c                   14.163(3)
_cell_measurement_reflns_used    8606
_cell_measurement_temperature    153.1500
_cell_measurement_theta_max      29.0669
_cell_measurement_theta_min      2.7511
_cell_volume                     2871.9(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      153.1500
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0616
_diffrn_reflns_av_sigmaI/netI    0.1146
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24983
_diffrn_reflns_theta_full        29.04
_diffrn_reflns_theta_max         29.04
_diffrn_reflns_theta_min         2.91
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8437
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.6000
_exptl_crystal_size_mid          0.1460
_exptl_crystal_size_min          0.0300
_refine_diff_density_max         0.540
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.111
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.022(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         13112
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0673
_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)+(0.0476P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                9141
_reflns_number_total             13112
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40977e.txt
_cod_data_source_block           CMP-bipy-Ni(6)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        2872.0(10)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7210933
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Ni1 Ni -0.00964(7) 0.45938(4) 0.43928(6) 0.01261(18) Uani 1 1 d .
Ni2 Ni 0.98724(7) 0.39629(4) 0.94407(6) 0.01217(18) Uani 1 1 d .
P3 P -0.08231(15) 0.36137(10) 0.59882(13) 0.0137(4) Uani 1 1 d .
P4 P 0.92898(15) 0.50478(9) 1.09946(13) 0.0132(4) Uani 1 1 d .
C1 C 1.6383(5) 0.3803(4) 1.2238(5) 0.0188(14) Uani 1 1 d .
H1 H 1.6115 0.3360 1.1883 0.023 Uiso 1 1 calc R
C2 C 1.5550(6) 0.4344(4) 1.2186(5) 0.0150(14) Uani 1 1 d .
C3 C 1.6038(6) 0.5003(4) 1.2722(5) 0.0202(15) Uani 1 1 d .
H3 H 1.5535 0.5387 1.2704 0.024 Uiso 1 1 calc R
C4 C 1.3734(6) 0.3546(4) 1.1353(5) 0.0161(14) Uani 1 1 d .
H4 H 1.4221 0.3132 1.1559 0.019 Uiso 1 1 calc R
C5 C 1.4239(6) 0.4230(4) 1.1610(5) 0.0136(13) Uani 1 1 d .
C6 C 1.3439(6) 0.4824(4) 1.1291(5) 0.0162(14) Uani 1 1 d .
H6A H 1.3730 0.5302 1.1455 0.019 Uiso 1 1 calc R
C7 C 1.2230(6) 0.4706(4) 1.0739(5) 0.0185(15) Uani 1 1 d .
H7A H 1.1724 0.5113 1.0547 0.022 Uiso 1 1 calc R
C8 C 1.2499(6) 0.3465(4) 1.0786(5) 0.0176(14) Uani 1 1 d .
H8A H 1.2183 0.2993 1.0623 0.021 Uiso 1 1 calc R
C9 C 0.7288(6) 0.3417(4) 0.8256(6) 0.0205(15) Uani 1 1 d .
H9A H 0.7605 0.2956 0.8511 0.025 Uiso 1 1 calc R
C10 C 0.6051(6) 0.3489(4) 0.7698(5) 0.0198(15) Uani 1 1 d .
H10A H 0.5565 0.3078 0.7596 0.024 Uiso 1 1 calc R
C11 C 0.5533(5) 0.4154(4) 0.7296(5) 0.0125(13) Uani 1 1 d .
C12 C 0.6304(6) 0.4742(4) 0.7470(5) 0.0233(16) Uani 1 1 d .
H12 H 0.5998 0.5203 0.7204 0.028 Uiso 1 1 calc R
C13 C 0.7543(5) 0.4646(4) 0.8045(5) 0.0181(14) Uani 1 1 d .
H13 H 0.8045 0.5050 0.8162 0.022 Uiso 1 1 calc R
C14 C 0.4199(6) 0.4257(4) 0.6676(5) 0.0112(13) Uani 1 1 d .
C15 C 0.3412(5) 0.3670(4) 0.6418(5) 0.0175(14) Uani 1 1 d .
H15 H 0.3692 0.3196 0.6634 0.021 Uiso 1 1 calc R
C16 C 0.2184(6) 0.3805(4) 0.5824(5) 0.0173(14) Uani 1 1 d .
H16 H 0.1659 0.3409 0.5671 0.021 Uiso 1 1 calc R
C17 C 0.2477(6) 0.5025(4) 0.5722(5) 0.0192(15) Uani 1 1 d U
H17 H 0.2172 0.5491 0.5483 0.023 Uiso 1 1 calc R
C18 C 0.3706(6) 0.4957(4) 0.6331(5) 0.0217(16) Uani 1 1 d .
H18 H 0.4196 0.5370 0.6508 0.026 Uiso 1 1 calc R
C19 C -0.2408(6) 0.3924(4) 0.2809(5) 0.0241(15) Uani 1 1 d .
H19 H -0.1882 0.3553 0.2828 0.029 Uiso 1 1 calc R
C20 C -0.2728(6) 0.5077(4) 0.3279(5) 0.0173(14) Uani 1 1 d .
H20 H -0.2427 0.5518 0.3627 0.021 Uiso 1 1 calc R
C21 C -0.6644(6) 0.4523(4) 0.3775(5) 0.0166(14) Uani 1 1 d .
C22 C -0.5369(6) 0.4457(4) 0.4356(5) 0.0174(14) Uani 1 1 d .
H22 H -0.4876 0.4867 0.4502 0.021 Uiso 1 1 calc R
C23 C -0.4904(5) 0.3783(3) 0.4688(5) 0.0164(13) Uani 1 1 d .
H23 H -0.4078 0.3721 0.5049 0.020 Uiso 1 1 calc R
C24 C -0.6909(6) 0.3266(4) 0.3973(5) 0.0176(14) Uani 1 1 d .
C25 C 0.7953(5) 0.6230(4) 1.0243(5) 0.0237(15) Uani 1 1 d .
H25A H 0.8086 0.6262 0.9618 0.028 Uiso 1 1 calc R
H25B H 0.8579 0.6508 1.0795 0.028 Uiso 1 1 calc R
C26 C 0.6760(5) 0.6556(4) 1.0023(5) 0.0206(15) Uani 1 1 d .
H26 H 0.6778 0.7084 0.9894 0.025 Uiso 1 1 calc R
C28 C 0.4726(5) 0.6241(3) 0.9165(5) 0.0178(13) Uani 1 1 d .
H28 H 0.4158 0.6541 0.8586 0.021 Uiso 1 1 calc R
C32 C 0.4959(5) 0.4876(4) 0.9339(5) 0.0180(14) Uani 1 1 d .
H32 H 0.5786 0.4941 0.9622 0.022 Uiso 1 1 calc R
C33 C 0.4517(6) 0.4193(4) 0.9200(5) 0.0183(15) Uani 1 1 d .
H33 H 0.5017 0.3784 0.9406 0.022 Uiso 1 1 calc R
C34 C 0.3242(6) 0.4122(4) 0.8722(5) 0.0168(15) Uani 1 1 d .
C35 C 0.2999(5) 0.5392(4) 0.8710(5) 0.0145(13) Uani 1 1 d .
C36 C -0.2014(5) 0.2376(4) 0.5634(5) 0.0201(14) Uani 1 1 d .
H36A H -0.1641 0.2238 0.6369 0.024 Uiso 1 1 calc R
H36B H -0.1532 0.2180 0.5306 0.024 Uiso 1 1 calc R
C37 C -0.3281(6) 0.2063(4) 0.5100(5) 0.0161(14) Uani 1 1 d .
H37 H -0.3241 0.1535 0.5250 0.019 Uiso 1 1 calc R
C41 C -0.5234(5) 0.2417(3) 0.4774(5) 0.0185(13) Uani 1 1 d .
H41 H -0.5736 0.2165 0.5050 0.022 Uiso 1 1 calc R
C42 C 0.4955(5) 0.6612(3) 1.0214(5) 0.0220(13) Uani 1 1 d .
H42 H 0.4469 0.6398 1.0535 0.026 Uiso 1 1 calc R
C43 C 0.6299(5) 0.6438(3) 1.0837(5) 0.0214(14) Uani 1 1 d .
H43 H 0.6407 0.5923 1.1066 0.026 Uiso 1 1 calc R
C44 C -0.5280(5) 0.2001(3) 0.3819(5) 0.0211(13) Uani 1 1 d .
H44 H -0.5916 0.2178 0.3156 0.025 Uiso 1 1 calc R
C45 C -0.4011(5) 0.2171(3) 0.3931(5) 0.0180(14) Uani 1 1 d .
H45 H -0.3964 0.2685 0.3746 0.022 Uiso 1 1 calc R
N1 N 1.1738(5) 0.4044(3) 1.0463(4) 0.0141(11) Uani 1 1 d .
N2 N 0.8040(4) 0.3983(3) 0.8439(4) 0.0170(12) Uani 1 1 d .
N3 N 0.1718(4) 0.4473(3) 0.5463(4) 0.0113(11) Uani 1 1 d .
N4 N -0.1941(4) 0.4545(3) 0.3342(4) 0.0139(11) Uani 1 1 d .
N5 N -0.7370(5) 0.3949(3) 0.3613(4) 0.0182(12) Uani 1 1 d .
N6 N -0.5663(4) 0.3184(3) 0.4488(4) 0.0142(11) Uani 1 1 d .
N7 N -0.7148(5) 0.5166(3) 0.3380(4) 0.0206(12) Uani 1 1 d .
H7B H -0.7915 0.5199 0.3036 0.025 Uiso 1 1 calc R
H7C H -0.6707 0.5549 0.3469 0.025 Uiso 1 1 calc R
N8 N 0.2518(5) 0.4721(3) 0.8514(4) 0.0169(12) Uani 1 1 d .
N9 N 0.2697(5) 0.3466(3) 0.8456(5) 0.0248(14) Uani 1 1 d .
H9B H 0.1927 0.3439 0.8169 0.030 Uiso 1 1 calc R
H9C H 0.3119 0.3071 0.8572 0.030 Uiso 1 1 calc R
N10 N 0.4230(4) 0.5483(3) 0.9077(4) 0.0155(11) Uani 1 1 d .
O1 O -0.7559(4) 0.2718(3) 0.3807(4) 0.0211(11) Uani 1 1 d .
O2 O -0.2080(4) 0.3161(3) 0.5537(3) 0.0191(10) Uani 1 1 d .
O3 O -0.1139(4) 0.4352(2) 0.6325(3) 0.0157(10) Uani 1 1 d .
O4 O 0.0096(4) 0.3160(3) 0.6888(3) 0.0166(10) Uani 1 1 d .
O5 O -0.0483(4) 0.3682(3) 0.5080(3) 0.0157(10) Uani 1 1 d .
O6 O -0.0430(4) 0.5334(2) 0.5352(3) 0.0169(10) Uani 1 1 d .
H6D H 0.0099 0.5651 0.5702 0.020 Uiso 1 1 d R
H6 H -0.0651 0.5111 0.5740 0.025 Uiso 1 1 d R
O7 O 0.0261(4) 0.5548(3) 0.3744(3) 0.0190(10) Uani 1 1 d .
H7F H -0.0064 0.5948 0.3797 0.023 Uiso 1 1 d R
H7 H 0.0072 0.5482 0.3119 0.029 Uiso 1 1 d R
O8 O 0.0261(4) 0.3965(3) 0.3339(3) 0.0153(9) Uani 1 1 d .
H8D H 0.0939 0.3966 0.3322 0.018 Uiso 1 1 d R
H8 H -0.0293 0.4005 0.2750 0.023 Uiso 1 1 d R
O9 O 1.0189(4) 0.4592(3) 0.8376(3) 0.0163(10) Uani 1 1 d .
H9F H 1.0904 0.4638 0.8449 0.020 Uiso 1 1 d R
H9 H 0.9761 0.4449 0.7779 0.024 Uiso 1 1 d R
O10 O 1.0142(4) 0.2990(3) 0.8782(3) 0.0155(10) Uani 1 1 d .
H10D H 0.9793 0.2605 0.8849 0.019 Uiso 1 1 d R
H10 H 0.9949 0.3052 0.8155 0.023 Uiso 1 1 d R
O11 O 0.9499(4) 0.3270(3) 1.0450(3) 0.0175(10) Uani 1 1 d .
H11C H 0.9390 0.3613 1.0807 0.021 Uiso 1 1 d R
H11 H 1.0099 0.3030 1.0811 0.026 Uiso 1 1 d R
O13 O 0.9603(4) 0.4939(2) 1.0075(3) 0.0144(10) Uani 1 1 d .
O14 O 1.0234(4) 0.5527(3) 1.1853(3) 0.0168(10) Uani 1 1 d .
O15 O 0.9033(4) 0.4333(2) 1.1397(3) 0.0149(10) Uani 1 1 d .
O16 O 0.8022(4) 0.5480(3) 1.0555(4) 0.0164(10) Uani 1 1 d .
O17 O 0.8830(4) 0.1667(3) 0.8749(3) 0.0223(10) Uani 1 1 d .
H17C H 0.9088 0.1335 0.8478 0.027 Uiso 1 1 d R
H17D H 0.9034 0.1553 0.9386 0.027 Uiso 1 1 d R
O18 O 0.8644(4) 0.1401(3) 0.3525(4) 0.0256(11) Uani 1 1 d .
H18C H 0.9087 0.1780 0.3655 0.031 Uiso 1 1 d R
H18D H 0.8373 0.1303 0.2874 0.031 Uiso 1 1 d R
O19 O 0.1225(4) 0.2311(3) 0.1682(4) 0.0303(12) Uani 1 1 d .
H19C H 0.1537 0.2374 0.2342 0.036 Uiso 1 1 d R
H19D H 0.0775 0.1934 0.1528 0.036 Uiso 1 1 d R
O20 O 0.0040(5) 0.2569(3) 0.4105(4) 0.0392(15) Uani 1 1 d .
H20C H 0.0662 0.2616 0.4000 0.047 Uiso 1 1 d R
H20D H 0.0252 0.2389 0.4714 0.047 Uiso 1 1 d R
O21 O 0.0976(4) 0.1867(3) 0.6469(3) 0.0222(11) Uani 1 1 d .
H21C H 0.0634 0.2257 0.6530 0.027 Uiso 1 1 d R
H21D H 0.1653 0.1835 0.6999 0.027 Uiso 1 1 d R
O22 O 0.0328(4) 0.6122(3) 0.9160(4) 0.0269(11) Uani 1 1 d .
H22C H 0.0918 0.6027 0.9026 0.032 Uiso 1 1 d R
H22D H 0.0173 0.5742 0.9429 0.032 Uiso 1 1 d R
O23 O 0.2368(4) 0.5962(3) 0.8599(4) 0.0211(11) Uani 1 1 d .
O28 O -0.4025(4) 0.2411(2) 0.5539(3) 0.0202(9) Uani 1 1 d .
O30 O 0.5834(4) 0.6210(3) 0.9093(4) 0.0243(11) Uani 1 1 d .
O31 O 0.4823(4) 0.7382(2) 1.0104(4) 0.0307(11) Uani 1 1 d .
H31 H 0.4128 0.7495 0.9961 0.046 Uiso 1 1 calc R
O32 O 0.6880(4) 0.6911(3) 1.1719(3) 0.0324(11) Uani 1 1 d .
H32A H 0.6384 0.7075 1.1901 0.049 Uiso 1 1 calc R
O33 O -0.3680(4) 0.1698(3) 0.3298(3) 0.0280(10) Uani 1 1 d .
H33A H -0.2948 0.1696 0.3522 0.042 Uiso 1 1 calc R
O34 O -0.5343(4) 0.1238(2) 0.3963(4) 0.0293(11) Uani 1 1 d .
H34 H -0.5983 0.1139 0.3975 0.044 Uiso 1 1 calc R
O35 O 0.2284(5) 0.1757(3) 0.5257(4) 0.0511(15) Uani 1 1 d .
H35D H 0.1804 0.1901 0.5502 0.061 Uiso 1 1 d R
H35C H 0.2259 0.2016 0.4748 0.061 Uiso 1 1 d R
O36 O 0.6453(4) 0.1548(3) 0.7310(3) 0.0320(11) Uani 1 1 d .
H36E H 0.7187 0.1591 0.7745 0.038 Uiso 1 1 d R
H36F H 0.6326 0.1815 0.6779 0.038 Uiso 1 1 d R
O37 O 0.7215(4) 0.5597(3) 0.5795(4) 0.0460(14) Uani 1 1 d .
H37C H 0.7717 0.5248 0.5932 0.055 Uiso 1 1 d R
H37D H 0.7406 0.5935 0.5481 0.055 Uiso 1 1 d R
O40 O 0.5751(5) 0.6884(3) 0.2870(4) 0.0584(17) Uani 1 1 d .
H40C H 0.6316 0.6831 0.3483 0.070 Uiso 1 1 d R
H40D H 0.5093 0.6768 0.2884 0.070 Uiso 1 1 d R
O42 O 0.2416(5) 0.7444(4) 0.9376(7) 0.119(4) Uani 1 1 d .
H42C H 0.1783 0.7618 0.9382 0.142 Uiso 1 1 d R
H42D H 0.2273 0.7009 0.9133 0.142 Uiso 1 1 d R
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'
Ni Ni 0.3393 1.1124 '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
O8 Ni1 O6 173.02(18) . .
O8 Ni1 O5 93.58(17) . .
O6 Ni1 O5 93.37(17) . .
O8 Ni1 O7 89.37(18) . .
O6 Ni1 O7 83.68(18) . .
O5 Ni1 O7 177.02(18) . .
O8 Ni1 N3 87.95(19) . .
O6 Ni1 N3 92.9(2) . .
O5 Ni1 N3 88.36(19) . .
O7 Ni1 N3 92.22(19) . .
O8 Ni1 N4 88.58(19) . .
O6 Ni1 N4 91.4(2) . .
O5 Ni1 N4 84.1(2) . .
O7 Ni1 N4 95.5(2) . .
N3 Ni1 N4 171.5(2) . .
O9 Ni2 O13 87.70(18) . .
O9 Ni2 N2 89.5(2) . .
O13 Ni2 N2 87.0(2) . .
O9 Ni2 O10 91.42(19) . .
O13 Ni2 O10 179.10(18) . .
N2 Ni2 O10 92.8(2) . .
O9 Ni2 O11 176.27(18) . .
O13 Ni2 O11 95.38(18) . .
N2 Ni2 O11 88.6(2) . .
O10 Ni2 O11 85.48(18) . .
O9 Ni2 N1 87.86(19) . .
O13 Ni2 N1 88.7(2) . .
N2 Ni2 N1 175.0(3) . .
O10 Ni2 N1 91.4(2) . .
O11 Ni2 N1 94.28(19) . .
O5 P3 O4 111.7(3) . .
O5 P3 O3 113.2(3) . .
O4 P3 O3 114.3(2) . .
O5 P3 O2 106.3(3) . .
O4 P3 O2 106.9(3) . .
O3 P3 O2 103.6(3) . .
O15 P4 O13 112.6(3) . .
O15 P4 O14 113.8(3) . .
O13 P4 O14 111.1(3) . .
O15 P4 O16 103.5(2) . .
O13 P4 O16 107.5(3) . .
O14 P4 O16 107.7(3) . .
C19 C1 C2 120.3(6) 1_756 .
C1 C2 C3 115.9(6) . .
C1 C2 C5 122.3(6) . .
C3 C2 C5 121.8(6) . .
C20 C3 C2 119.9(7) 1_756 .
C5 C4 C8 120.7(6) . .
C4 C5 C6 116.0(6) . .
C4 C5 C2 122.6(6) . .
C6 C5 C2 121.4(6) . .
C7 C6 C5 120.4(6) . .
N1 C7 C6 123.8(6) . .
N1 C8 C4 122.8(7) . .
N2 C9 C10 122.7(7) . .
C11 C10 C9 121.2(7) . .
C10 C11 C12 116.6(6) . .
C10 C11 C14 123.1(6) . .
C12 C11 C14 120.3(6) . .
C11 C12 C13 120.3(6) . .
N2 C13 C12 122.3(6) . .
C15 C14 C18 117.3(6) . .
C15 C14 C11 121.7(6) . .
C18 C14 C11 121.0(6) . .
C14 C15 C16 118.6(6) . .
N3 C16 C15 124.0(6) . .
N3 C17 C18 124.2(7) . .
C17 C18 C14 119.3(7) . .
N4 C19 C1 123.9(7) . 1_354
N4 C20 C3 123.6(7) . 1_354
N7 C21 N5 117.3(6) . .
N7 C21 C22 120.9(6) . .
N5 C21 C22 121.8(7) . .
C23 C22 C21 118.2(6) . .
C22 C23 N6 119.7(6) . .
O1 C24 N5 122.0(6) . .
O1 C24 N6 119.4(6) . .
N5 C24 N6 118.5(6) . .
O16 C25 C26 111.4(5) . .
O30 C26 C25 109.5(6) . .
O30 C26 C43 102.6(5) . .
C25 C26 C43 117.0(6) . .
O30 C28 N10 109.4(5) . .
O30 C28 C42 108.0(5) . .
N10 C28 C42 112.4(5) . .
C33 C32 N10 121.9(6) . .
C32 C33 C34 116.9(6) . .
N9 C34 N8 116.7(6) . .
N9 C34 C33 122.1(6) . .
N8 C34 C33 121.3(6) . .
O23 C35 N8 121.9(6) . .
O23 C35 N10 117.7(6) . .
N8 C35 N10 120.3(6) . .
O2 C36 C37 108.8(5) . .
O28 C37 C45 102.8(5) . .
O28 C37 C36 109.3(5) . .
C45 C37 C36 119.2(5) . .
O28 C41 N6 110.5(5) . .
O28 C41 C44 107.0(5) . .
N6 C41 C44 110.7(5) . .
O31 C42 C43 108.2(5) . .
O31 C42 C28 111.4(5) . .
C43 C42 C28 99.3(5) . .
O32 C43 C26 111.6(5) . .
O32 C43 C42 112.6(5) . .
C26 C43 C42 102.0(5) . .
O34 C44 C41 110.1(5) . .
O34 C44 C45 107.5(5) . .
C41 C44 C45 99.6(5) . .
O33 C45 C37 114.3(5) . .
O33 C45 C44 112.0(5) . .
C37 C45 C44 100.5(5) . .
C7 N1 C8 116.3(6) . .
C7 N1 Ni2 119.0(4) . .
C8 N1 Ni2 124.4(5) . .
C9 N2 C13 116.9(5) . .
C9 N2 Ni2 125.3(5) . .
C13 N2 Ni2 117.2(4) . .
C17 N3 C16 116.6(5) . .
C17 N3 Ni1 122.0(4) . .
C16 N3 Ni1 120.9(4) . .
C19 N4 C20 116.5(6) . .
C19 N4 Ni1 119.9(4) . .
C20 N4 Ni1 123.0(4) . .
C21 N5 C24 120.4(6) . .
C23 N6 C24 121.2(5) . .
C23 N6 C41 123.6(5) . .
C24 N6 C41 115.2(5) . .
C35 N8 C34 119.8(6) . .
C32 N10 C35 119.4(5) . .
C32 N10 C28 121.5(5) . .
C35 N10 C28 119.1(5) . .
C36 O2 P3 117.5(4) . .
P3 O5 Ni1 131.7(3) . .
P4 O13 Ni2 128.9(3) . .
C25 O16 P4 120.0(4) . .
C41 O28 C37 109.3(4) . .
C28 O30 C26 108.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O8 2.076(4) .
Ni1 O6 2.079(4) .
Ni1 O5 2.082(5) .
Ni1 O7 2.100(5) .
Ni1 N3 2.103(5) .
Ni1 N4 2.116(5) .
Ni2 O9 2.062(4) .
Ni2 O13 2.081(4) .
Ni2 N2 2.087(5) .
Ni2 O10 2.094(5) .
Ni2 O11 2.103(4) .
Ni2 N1 2.130(5) .
P3 O5 1.523(4) .
P3 O4 1.528(4) .
P3 O3 1.533(5) .
P3 O2 1.626(5) .
P4 O15 1.508(5) .
P4 O13 1.525(4) .
P4 O14 1.538(5) .
P4 O16 1.618(5) .
C1 C19 1.375(8) 1_756
C1 C2 1.405(9) .
C2 C3 1.407(9) .
C2 C5 1.479(8) .
C3 C20 1.387(9) 1_756
C4 C5 1.369(9) .
C4 C8 1.391(9) .
C5 C6 1.402(9) .
C6 C7 1.371(9) .
C7 N1 1.330(9) .
C8 N1 1.354(8) .
C9 N2 1.336(9) .
C9 C10 1.390(9) .
C10 C11 1.372(9) .
C11 C12 1.382(9) .
C11 C14 1.507(8) .
C12 C13 1.400(8) .
C13 N2 1.359(8) .
C14 C15 1.383(9) .
C14 C18 1.405(9) .
C15 C16 1.403(8) .
C16 N3 1.347(8) .
C17 N3 1.314(8) .
C17 C18 1.389(9) .
C19 N4 1.342(9) .
C19 C1 1.375(8) 1_354
C20 N4 1.349(8) .
C20 C3 1.387(9) 1_354
C21 N7 1.330(9) .
C21 N5 1.330(9) .
C21 C22 1.432(9) .
C22 C23 1.348(9) .
C23 N6 1.386(7) .
C24 O1 1.238(8) .
C24 N5 1.370(9) .
C24 N6 1.398(8) .
C25 O16 1.426(8) .
C25 C26 1.494(8) .
C26 O30 1.458(8) .
C26 C43 1.510(9) .
C28 O30 1.421(7) .
C28 N10 1.493(8) .
C28 C42 1.541(9) .
C32 C33 1.337(9) .
C32 N10 1.371(7) .
C33 C34 1.427(9) .
C34 N9 1.343(9) .
C34 N8 1.359(8) .
C35 O23 1.267(7) .
C35 N8 1.333(8) .
C35 N10 1.390(8) .
C36 O2 1.433(8) .
C36 C37 1.525(8) .
C37 O28 1.462(7) .
C37 C45 1.513(8) .
C41 O28 1.414(6) .
C41 N6 1.485(8) .
C41 C44 1.529(8) .
C42 O31 1.412(7) .
C42 C43 1.539(8) .
C43 O32 1.426(7) .
C44 O34 1.410(7) .
C44 C45 1.542(8) .
C45 O33 1.425(7) .
