#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/20/4502092.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_4502092
loop_
_publ_author_name
'Liu, Hong-Sheng'
'Lan, Ya-Qian'
'Li, Shun-Li'
_publ_section_title
;
 Metal−Organic Frameworks with Diverse Structures Constructed by
 Using Capsule-like Ligand and NiIIBased on Ionothermal and Hydrothermal
 Methods
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5221
_journal_paper_doi               10.1021/cg1010105
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C66 H70 N10 Ni2 O17'
_chemical_formula_weight         1392.74
_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                114.014(3)
_cell_angle_beta                 98.404(3)
_cell_angle_gamma                100.812(3)
_cell_formula_units_Z            2
_cell_length_a                   13.462(2)
_cell_length_b                   16.548(3)
_cell_length_c                   18.520(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.54
_cell_measurement_theta_min      2.17
_cell_volume                     3586.1(10)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    "'Diamond V3.2d (Crystal Impact, 2008)"
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0921
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21742
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.54
_diffrn_reflns_theta_min         2.17
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         16282
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1269
_refine_ls_R_factor_gt           0.0671
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1179P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1753
_refine_ls_wR_factor_ref         0.2099
_reflns_number_gt                8486
_reflns_number_total             16282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg1010105_si_001.cif
_cod_data_source_block           2
_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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3586.1(11)
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               4502092
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
Ni1 Ni 0.26292(4) 0.01507(3) 0.78085(3) 0.04821(15) Uani 1 1 d .
Ni2 Ni 0.93007(4) 0.60839(3) 1.20017(3) 0.05652(17) Uani 1 1 d .
C1 C 0.0533(3) 0.0239(2) 0.7158(3) 0.0552(9) Uani 1 1 d .
H1A H 0.0462 0.0659 0.7684 0.066 Uiso 1 1 calc R
H1B H -0.0152 -0.0033 0.6781 0.066 Uiso 1 1 calc R
C2 C 0.1265(3) 0.0757(2) 0.6845(2) 0.0513(9) Uani 1 1 d .
H2A H 0.1321 0.0338 0.6314 0.062 Uiso 1 1 calc R
H2B H 0.0988 0.1233 0.6786 0.062 Uiso 1 1 calc R
C3 C 0.0810(3) -0.1300(3) 0.6429(3) 0.0635(11) Uani 1 1 d .
H3A H 0.0390 -0.1849 0.6423 0.076 Uiso 1 1 calc R
H3B H 0.0439 -0.1195 0.6000 0.076 Uiso 1 1 calc R
C4 C 0.1826(3) -0.1443(2) 0.6271(2) 0.0568(10) Uani 1 1 d .
C5 C 0.3485(4) -0.1212(3) 0.6352(3) 0.0674(11) Uani 1 1 d .
C6 C 0.4558(4) -0.0870(4) 0.6562(4) 0.0898(15) Uani 1 1 d .
H6 H 0.4896 -0.0292 0.6990 0.108 Uiso 1 1 calc R
C7 C 0.5113(5) -0.1432(5) 0.6099(5) 0.122(2) Uani 1 1 d .
H7 H 0.5834 -0.1214 0.6210 0.146 Uiso 1 1 calc R
C8 C 0.4619(7) -0.2297(5) 0.5486(5) 0.134(3) Uani 1 1 d .
H8 H 0.5018 -0.2654 0.5200 0.160 Uiso 1 1 calc R
C9 C 0.3560(7) -0.2654(4) 0.5281(4) 0.104(2) Uani 1 1 d .
H9 H 0.3237 -0.3242 0.4864 0.125 Uiso 1 1 calc R
C10 C 0.2978(4) -0.2103(3) 0.5719(3) 0.0729(12) Uani 1 1 d .
C11 C 0.1098(4) -0.3078(3) 0.5176(3) 0.0736(13) Uani 1 1 d .
H11A H 0.1320 -0.3454 0.4706 0.088 Uiso 1 1 calc R
H11B H 0.0483 -0.2927 0.4980 0.088 Uiso 1 1 calc R
C12 C 0.0818(4) -0.3623(2) 0.5647(2) 0.0645(11) Uani 1 1 d .
C13 C 0.1558(4) -0.3875(3) 0.6042(3) 0.0749(13) Uani 1 1 d .
H13 H 0.2254 -0.3691 0.6042 0.090 Uiso 1 1 calc R
C14 C 0.1280(4) -0.4399(3) 0.6440(3) 0.0709(12) Uani 1 1 d .
H14 H 0.1790 -0.4565 0.6702 0.085 Uiso 1 1 calc R
C15 C 0.0251(4) -0.4678(2) 0.6453(2) 0.0602(10) Uani 1 1 d .
C16 C -0.0507(4) -0.4418(3) 0.6067(3) 0.0689(12) Uani 1 1 d .
H16 H -0.1201 -0.4589 0.6076 0.083 Uiso 1 1 calc R
C17 C -0.0202(4) -0.3896(3) 0.5664(2) 0.0703(13) Uani 1 1 d .
H17 H -0.0707 -0.3727 0.5400 0.084 Uiso 1 1 calc R
C18 C -0.0043(4) -0.5217(3) 0.6913(3) 0.0635(11) Uani 1 1 d .
C19 C 0.3159(3) 0.1343(3) 0.7033(2) 0.0505(9) Uani 1 1 d .
H19A H 0.3198 0.1902 0.6971 0.061 Uiso 1 1 calc R
H19B H 0.3039 0.0833 0.6498 0.061 Uiso 1 1 calc R
C20 C 0.4141(3) 0.1431(2) 0.7582(2) 0.0519(9) Uani 1 1 d .
C21 C 0.5771(3) 0.1846(3) 0.8267(3) 0.0661(11) Uani 1 1 d .
C22 C 0.6837(4) 0.2218(4) 0.8606(4) 0.0903(16) Uani 1 1 d .
H22 H 0.7252 0.2593 0.8442 0.108 Uiso 1 1 calc R
C23 C 0.7235(4) 0.1993(5) 0.9206(4) 0.107(2) Uani 1 1 d .
H23 H 0.7941 0.2244 0.9467 0.129 Uiso 1 1 calc R
C24 C 0.6632(5) 0.1408(4) 0.9440(3) 0.0946(17) Uani 1 1 d .
H24 H 0.6948 0.1269 0.9840 0.114 Uiso 1 1 calc R
C25 C 0.5586(4) 0.1032(3) 0.9094(3) 0.0764(13) Uani 1 1 d .
H25 H 0.5178 0.0646 0.9252 0.092 Uiso 1 1 calc R
C26 C 0.5158(3) 0.1256(3) 0.8489(3) 0.0596(10) Uani 1 1 d .
C27 C 0.5407(4) 0.2462(3) 0.7232(3) 0.0749(13) Uani 1 1 d .
H27A H 0.5764 0.3096 0.7617 0.090 Uiso 1 1 calc R
H27B H 0.4786 0.2461 0.6891 0.090 Uiso 1 1 calc R
C28 C 0.6099(3) 0.2073(3) 0.6714(3) 0.0679(11) Uani 1 1 d .
C29 C 0.7028(3) 0.2640(3) 0.6756(3) 0.0684(11) Uani 1 1 d .
H29 H 0.7190 0.3269 0.7090 0.082 Uiso 1 1 calc R
C30 C 0.7723(3) 0.2289(3) 0.6311(3) 0.0651(11) Uani 1 1 d .
H30 H 0.8336 0.2684 0.6342 0.078 Uiso 1 1 calc R
C31 C 0.7507(4) 0.1358(3) 0.5826(3) 0.0654(11) Uani 1 1 d .
C32 C 0.6556(4) 0.0794(3) 0.5756(3) 0.0898(16) Uani 1 1 d .
H32 H 0.6385 0.0167 0.5411 0.108 Uiso 1 1 calc R
C33 C 0.5871(4) 0.1145(3) 0.6185(4) 0.0911(16) Uani 1 1 d .
H33 H 0.5237 0.0753 0.6122 0.109 Uiso 1 1 calc R
C34 C 0.8285(4) 0.0955(4) 0.5391(3) 0.0738(12) Uani 1 1 d .
C35 C 0.2371(3) 0.2043(2) 0.8151(2) 0.0486(8) Uani 1 1 d .
H35A H 0.2963 0.2526 0.8219 0.058 Uiso 1 1 calc R
H35B H 0.1744 0.2234 0.8063 0.058 Uiso 1 1 calc R
C36 C 0.2479(3) 0.1920(2) 0.8906(2) 0.0448(8) Uani 1 1 d .
C37 C 0.2514(3) 0.1256(3) 0.9700(2) 0.0558(9) Uani 1 1 d .
C38 C 0.2676(3) 0.2180(2) 1.0193(2) 0.0530(9) Uani 1 1 d .
C39 C 0.2815(4) 0.2546(3) 1.1027(3) 0.0753(12) Uani 1 1 d .
H39 H 0.2941 0.3174 1.1351 0.090 Uiso 1 1 calc R
C40 C 0.2756(5) 0.1933(4) 1.1355(3) 0.0931(16) Uani 1 1 d .
H40 H 0.2811 0.2147 1.1912 0.112 Uiso 1 1 calc R
C41 C 0.2618(5) 0.1013(4) 1.0882(3) 0.0981(18) Uani 1 1 d .
H41 H 0.2610 0.0626 1.1133 0.118 Uiso 1 1 calc R
C42 C 0.2490(4) 0.0641(3) 1.0047(3) 0.0782(13) Uani 1 1 d .
H42 H 0.2393 0.0016 0.9730 0.094 Uiso 1 1 calc R
C43 C 0.2957(3) 0.3586(2) 0.9938(3) 0.0561(10) Uani 1 1 d .
H43A H 0.2583 0.3872 1.0340 0.067 Uiso 1 1 calc R
H43B H 0.2754 0.3708 0.9477 0.067 Uiso 1 1 calc R
C44 C 0.4109(3) 0.4005(2) 1.0304(2) 0.0517(9) Uani 1 1 d .
C45 C 0.4831(3) 0.3605(3) 0.9953(3) 0.0695(12) Uani 1 1 d .
H45 H 0.4601 0.3054 0.9476 0.083 Uiso 1 1 calc R
C46 C 0.5887(3) 0.3997(3) 1.0288(3) 0.0646(11) Uani 1 1 d .
H46 H 0.6361 0.3709 1.0041 0.078 Uiso 1 1 calc R
C47 C 0.6245(3) 0.4822(2) 1.0993(2) 0.0524(9) Uani 1 1 d .
C48 C 0.5536(3) 0.5221(3) 1.1340(3) 0.0758(13) Uani 1 1 d .
H48 H 0.5767 0.5770 1.1818 0.091 Uiso 1 1 calc R
C49 C 0.4476(3) 0.4830(3) 1.1000(3) 0.0716(12) Uani 1 1 d .
H49 H 0.4005 0.5127 1.1243 0.086 Uiso 1 1 calc R
C50 C 0.7406(3) 0.5262(3) 1.1363(3) 0.0592(10) Uani 1 1 d .
C51 C 0.0573(3) -0.0789(3) 0.7814(3) 0.0607(10) Uani 1 1 d .
H51A H -0.0115 -0.1220 0.7558 0.073 Uiso 1 1 calc R
H51B H 0.0530 -0.0265 0.8288 0.073 Uiso 1 1 calc R
C52 C 0.1338(3) -0.1240(2) 0.8056(2) 0.0545(9) Uani 1 1 d .
C53 C 0.2826(4) -0.1533(3) 0.8289(2) 0.0618(11) Uani 1 1 d .
C54 C 0.2038(4) -0.2213(3) 0.8310(2) 0.0727(13) Uani 1 1 d .
C55 C 0.2305(6) -0.2950(3) 0.8424(3) 0.0925(18) Uani 1 1 d .
H55 H 0.1806 -0.3409 0.8441 0.111 Uiso 1 1 calc R
C56 C 0.3316(8) -0.2951(4) 0.8507(4) 0.124(3) Uani 1 1 d .
H56 H 0.3507 -0.3433 0.8574 0.148 Uiso 1 1 calc R
C57 C 0.4082(6) -0.2276(4) 0.8498(4) 0.106(2) Uani 1 1 d .
H57 H 0.4769 -0.2309 0.8574 0.127 Uiso 1 1 calc R
C58 C 0.3856(5) -0.1547(3) 0.8379(3) 0.0838(14) Uani 1 1 d .
H58 H 0.4368 -0.1096 0.8362 0.101 Uiso 1 1 calc R
C59 C 0.0111(4) -0.2536(3) 0.8131(3) 0.0807(15) Uani 1 1 d .
H59A H -0.0018 -0.3165 0.7721 0.097 Uiso 1 1 calc R
H59B H -0.0427 -0.2287 0.7964 0.097 Uiso 1 1 calc R
C60 C 0.0037(3) -0.2536(3) 0.8930(3) 0.0649(11) Uani 1 1 d .
C61 C -0.0229(6) -0.3359(3) 0.8971(3) 0.117(3) Uani 1 1 d .
H61 H -0.0368 -0.3907 0.8499 0.140 Uiso 1 1 calc R
C62 C -0.0293(5) -0.3386(3) 0.9690(3) 0.0952(18) Uani 1 1 d .
H62 H -0.0469 -0.3954 0.9696 0.114 Uiso 1 1 calc R
C63 C -0.0109(3) -0.2619(2) 1.0387(2) 0.0502(9) Uani 1 1 d .
C64 C 0.0121(3) -0.1779(3) 1.0360(3) 0.0594(10) Uani 1 1 d .
H64 H 0.0240 -0.1236 1.0833 0.071 Uiso 1 1 calc R
C65 C 0.0174(3) -0.1750(3) 0.9626(3) 0.0600(10) Uani 1 1 d .
H65 H 0.0305 -0.1187 0.9609 0.072 Uiso 1 1 calc R
C66 C -0.0161(3) -0.2672(3) 1.1170(3) 0.0533(9) Uani 1 1 d .
N1 N 0.2315(2) 0.11803(18) 0.74242(17) 0.0454(7) Uani 1 1 d .
N2 N 0.0962(2) -0.04930(18) 0.72391(18) 0.0487(7) Uani 1 1 d .
N3 N 0.2714(3) -0.0824(2) 0.6682(2) 0.0573(8) Uani 1 1 d .
N4 N 0.1933(3) -0.2228(2) 0.5687(2) 0.0638(9) Uani 1 1 d .
N5 N 0.4129(2) 0.1005(2) 0.80480(19) 0.0521(7) Uani 1 1 d .
N6 N 0.5097(2) 0.1944(2) 0.7684(2) 0.0610(8) Uani 1 1 d .
N7 N 0.2654(2) 0.25844(18) 0.96662(19) 0.0493(7) Uani 1 1 d .
N8 N 0.2391(2) 0.10938(19) 0.88888(19) 0.0515(7) Uani 1 1 d .
N9 N 0.1110(3) -0.2007(2) 0.81699(19) 0.0606(9) Uani 1 1 d .
N10 N 0.2336(3) -0.0921(2) 0.8134(2) 0.0551(8) Uani 1 1 d .
O1 O -0.0944(3) -0.5331(2) 0.7018(2) 0.0809(9) Uani 1 1 d .
O2 O 0.0657(2) -0.5500(2) 0.7189(2) 0.0750(8) Uani 1 1 d .
O1W O 0.9823(2) 0.74232(18) 1.28731(17) 0.0635(7) Uani 1 1 d .
O3 O 0.8024(3) 0.0114(3) 0.4907(2) 0.1043(13) Uani 1 1 d .
O2W O 1.0666(2) 0.5779(2) 1.1776(2) 0.0776(9) Uani 1 1 d .
O4 O 0.9181(3) 0.1489(3) 0.5554(2) 0.0868(10) Uani 1 1 d .
O3W O 1.0914(4) 0.1157(4) 0.5060(3) 0.1375(18) Uani 1 1 d .
O5 O 0.8047(2) 0.4874(2) 1.10623(19) 0.0694(8) Uani 1 1 d .
O6 O 0.7685(2) 0.60345(18) 1.19818(19) 0.0666(8) Uani 1 1 d .
O7 O 0.0287(3) -0.19715(19) 1.18262(18) 0.0726(8) Uani 1 1 d .
O6W O -0.1516(11) -0.3236(10) 0.4094(9) 0.312(6) Uani 1 1 d .
O8 O -0.0672(2) -0.34244(18) 1.11110(17) 0.0601(7) Uani 1 1 d .
O9W O 0.2684(16) 0.4590(14) 1.2906(14) 0.251(8) Uiso 0.50 1 d P
O9W' O 0.2855(11) 0.4894(11) 1.2393(10) 0.190(5) Uiso 0.50 1 d P
O8W O -0.1922(19) -0.1529(17) 0.6862(16) 0.281(10) Uiso 0.50 1 d P
O8W' O -0.1993(14) -0.1261(12) 0.6216(12) 0.217(6) Uiso 0.50 1 d P
O4W O 0.8535(5) 0.4524(3) 0.9578(3) 0.153(2) Uani 1 1 d .
O7W O -0.2513(18) -0.2899(14) 0.3541(12) 0.235(7) Uiso 0.50 1 d P
O7W' O -0.3375(17) -0.3222(13) 0.3362(12) 0.227(7) Uiso 0.50 1 d P
O5W O 0.2030(6) -0.0376(5) 1.2460(8) 0.243(4) Uani 1 1 d D
H5A H 0.235(11) 0.013(6) 1.256(14) 0.364 Uiso 1 1 d D
H5B H 0.141(4) -0.049(12) 1.242(15) 0.364 Uiso 1 1 d 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'
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
N10 Ni1 N3 86.88(13) . .
N10 Ni1 N8 92.93(12) . .
N3 Ni1 N8 174.53(13) . .
N10 Ni1 N5 123.79(12) . .
N3 Ni1 N5 93.83(13) . .
N8 Ni1 N5 90.82(12) . .
N10 Ni1 N1 158.67(12) . .
N3 Ni1 N1 97.73(12) . .
N8 Ni1 N1 80.51(11) . .
N5 Ni1 N1 76.86(11) . .
N10 Ni1 N2 77.95(12) . .
N3 Ni1 N2 80.65(13) . .
N8 Ni1 N2 93.96(12) . .
N5 Ni1 N2 157.50(11) . .
N1 Ni1 N2 82.26(10) . .
O1W Ni2 O2W 102.11(13) . .
O1W Ni2 O2 96.23(12) . 2_657
O2W Ni2 O2 89.37(13) . 2_657
O1W Ni2 O8 87.90(11) . 1_665
O2W Ni2 O8 85.83(12) . 1_665
O2 Ni2 O8 174.23(12) 2_657 1_665
O1W Ni2 O6 93.26(11) . .
O2W Ni2 O6 164.62(13) . .
O2 Ni2 O6 89.75(12) 2_657 .
O8 Ni2 O6 94.03(11) 1_665 .
O1W Ni2 O5 151.95(12) . .
O2W Ni2 O5 104.87(13) . .
O2 Ni2 O5 91.63(12) 2_657 .
O8 Ni2 O5 86.54(11) 1_665 .
O6 Ni2 O5 59.81(12) . .
O1W Ni2 C50 123.07(14) . .
O2W Ni2 C50 134.42(15) . .
O2 Ni2 C50 91.29(12) 2_657 .
O8 Ni2 C50 89.80(11) 1_665 .
O6 Ni2 C50 30.26(13) . .
O5 Ni2 C50 29.56(12) . .
N2 C1 C2 109.1(3) . .
N2 C1 H1A 109.9 . .
C2 C1 H1A 109.9 . .
N2 C1 H1B 109.9 . .
C2 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
N1 C2 C1 110.0(3) . .
N1 C2 H2A 109.7 . .
C1 C2 H2A 109.7 . .
N1 C2 H2B 109.7 . .
C1 C2 H2B 109.7 . .
H2A C2 H2B 108.2 . .
C4 C3 N2 111.0(3) . .
C4 C3 H3A 109.4 . .
N2 C3 H3A 109.4 . .
C4 C3 H3B 109.4 . .
N2 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
N3 C4 N4 113.0(4) . .
N3 C4 C3 123.1(3) . .
N4 C4 C3 123.9(4) . .
C6 C5 N3 130.9(4) . .
C6 C5 C10 121.3(4) . .
N3 C5 C10 107.7(4) . .
C5 C6 C7 116.9(6) . .
C5 C6 H6 121.5 . .
C7 C6 H6 121.5 . .
C8 C7 C6 121.6(6) . .
C8 C7 H7 119.2 . .
C6 C7 H7 119.2 . .
C9 C8 C7 122.3(6) . .
C9 C8 H8 118.9 . .
C7 C8 H8 118.9 . .
C8 C9 C10 117.7(6) . .
C8 C9 H9 121.1 . .
C10 C9 H9 121.1 . .
N4 C10 C9 133.8(5) . .
N4 C10 C5 106.1(4) . .
C9 C10 C5 120.2(5) . .
N4 C11 C12 111.6(3) . .
N4 C11 H11A 109.3 . .
C12 C11 H11A 109.3 . .
N4 C11 H11B 109.3 . .
C12 C11 H11B 109.3 . .
H11A C11 H11B 108.0 . .
C17 C12 C13 118.4(4) . .
C17 C12 C11 119.7(4) . .
C13 C12 C11 121.9(5) . .
C12 C13 C14 120.9(5) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C15 C14 C13 120.7(4) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C16 119.2(4) . .
C14 C15 C18 120.6(4) . .
C16 C15 C18 120.1(4) . .
C15 C16 C17 118.7(5) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C12 C17 C16 122.1(4) . .
C12 C17 H17 119.0 . .
C16 C17 H17 119.0 . .
O1 C18 O2 124.3(4) . .
O1 C18 C15 118.6(4) . .
O2 C18 C15 117.1(4) . .
N1 C19 C20 106.1(3) . .
N1 C19 H19A 110.5 . .
C20 C19 H19A 110.5 . .
N1 C19 H19B 110.5 . .
C20 C19 H19B 110.5 . .
H19A C19 H19B 108.7 . .
N5 C20 N6 113.0(3) . .
N5 C20 C19 120.8(3) . .
N6 C20 C19 126.1(3) . .
C22 C21 C26 122.5(5) . .
C22 C21 N6 131.7(5) . .
C26 C21 N6 105.9(3) . .
C23 C22 C21 115.1(6) . .
C23 C22 H22 122.5 . .
C21 C22 H22 122.5 . .
C22 C23 C24 123.2(5) . .
C22 C23 H23 118.4 . .
C24 C23 H23 118.4 . .
C25 C24 C23 121.3(5) . .
C25 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
C24 C25 C26 116.8(5) . .
C24 C25 H25 121.6 . .
C26 C25 H25 121.6 . .
C21 C26 N5 108.9(4) . .
C21 C26 C25 121.1(4) . .
N5 C26 C25 130.0(4) . .
N6 C27 C28 112.4(4) . .
N6 C27 H27A 109.1 . .
C28 C27 H27A 109.1 . .
N6 C27 H27B 109.1 . .
C28 C27 H27B 109.1 . .
H27A C27 H27B 107.9 . .
C29 C28 C33 117.2(4) . .
C29 C28 C27 120.0(4) . .
C33 C28 C27 122.7(4) . .
C28 C29 C30 121.5(4) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C31 C30 C29 120.2(4) . .
C31 C30 H30 119.9 . .
C29 C30 H30 119.9 . .
C30 C31 C32 118.4(4) . .
C30 C31 C34 121.0(4) . .
C32 C31 C34 120.5(4) . .
C33 C32 C31 121.0(4) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C32 C33 C28 121.5(4) . .
C32 C33 H33 119.2 . .
C28 C33 H33 119.2 . .
O3 C34 O4 123.9(5) . .
O3 C34 C31 118.7(5) . .
O4 C34 C31 117.4(4) . .
C36 C35 N1 111.8(3) . .
C36 C35 H35A 109.3 . .
N1 C35 H35A 109.3 . .
C36 C35 H35B 109.3 . .
N1 C35 H35B 109.3 . .
H35A C35 H35B 107.9 . .
N8 C36 N7 111.9(3) . .
N8 C36 C35 122.0(3) . .
N7 C36 C35 126.1(3) . .
C38 C37 N8 109.9(3) . .
C38 C37 C42 119.9(4) . .
N8 C37 C42 130.2(4) . .
C37 C38 C39 123.1(4) . .
C37 C38 N7 105.2(3) . .
C39 C38 N7 131.7(4) . .
C40 C39 C38 116.4(4) . .
C40 C39 H39 121.8 . .
C38 C39 H39 121.8 . .
C41 C40 C39 121.7(5) . .
C41 C40 H40 119.1 . .
C39 C40 H40 119.1 . .
C40 C41 C42 122.2(5) . .
C40 C41 H41 118.9 . .
C42 C41 H41 118.9 . .
C41 C42 C37 116.6(4) . .
C41 C42 H42 121.7 . .
C37 C42 H42 121.7 . .
N7 C43 C44 112.1(3) . .
N7 C43 H43A 109.2 . .
C44 C43 H43A 109.2 . .
N7 C43 H43B 109.2 . .
C44 C43 H43B 109.2 . .
H43A C43 H43B 107.9 . .
C45 C44 C49 117.7(4) . .
C45 C44 C43 122.0(3) . .
C49 C44 C43 120.3(4) . .
C44 C45 C46 121.7(4) . .
C44 C45 H45 119.2 . .
C46 C45 H45 119.2 . .
C45 C46 C47 120.0(4) . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
C48 C47 C46 118.5(4) . .
C48 C47 C50 121.1(4) . .
C46 C47 C50 120.4(4) . .
C47 C48 C49 121.4(4) . .
C47 C48 H48 119.3 . .
C49 C48 H48 119.3 . .
C44 C49 C48 120.6(4) . .
C44 C49 H49 119.7 . .
C48 C49 H49 119.7 . .
O5 C50 O6 121.8(4) . .
O5 C50 C47 120.7(4) . .
O6 C50 C47 117.5(4) . .
O5 C50 Ni2 62.4(2) . .
O6 C50 Ni2 59.4(2) . .
C47 C50 Ni2 176.5(3) . .
N2 C51 C52 106.2(3) . .
N2 C51 H51A 110.5 . .
C52 C51 H51A 110.5 . .
N2 C51 H51B 110.5 . .
C52 C51 H51B 110.5 . .
H51A C51 H51B 108.7 . .
N10 C52 N9 113.4(4) . .
N10 C52 C51 119.9(3) . .
N9 C52 C51 126.6(4) . .
C58 C53 N10 130.2(4) . .
C58 C53 C54 122.9(4) . .
N10 C53 C54 106.9(4) . .
N9 C54 C53 107.4(3) . .
N9 C54 C55 133.2(5) . .
C53 C54 C55 119.3(5) . .
C56 C55 C54 116.8(6) . .
C56 C55 H55 121.6 . .
C54 C55 H55 121.6 . .
C55 C56 C57 123.4(5) . .
C55 C56 H56 118.3 . .
C57 C56 H56 118.3 . .
C56 C57 C58 121.8(6) . .
C56 C57 H57 119.1 . .
C58 C57 H57 119.1 . .
C53 C58 C57 115.8(5) . .
C53 C58 H58 122.1 . .
C57 C58 H58 122.1 . .
N9 C59 C60 112.7(3) . .
N9 C59 H59A 109.1 . .
C60 C59 H59A 109.1 . .
N9 C59 H59B 109.1 . .
C60 C59 H59B 109.1 . .
H59A C59 H59B 107.8 . .
C65 C60 C61 117.4(4) . .
C65 C60 C59 122.9(4) . .
C61 C60 C59 119.6(4) . .
C62 C61 C60 121.3(4) . .
C62 C61 H61 119.3 . .
C60 C61 H61 119.3 . .
C63 C62 C61 122.0(4) . .
C63 C62 H62 119.0 . .
C61 C62 H62 119.0 . .
C62 C63 C64 118.1(4) . .
C62 C63 C66 120.6(3) . .
C64 C63 C66 121.3(4) . .
C63 C64 C65 120.0(4) . .
C63 C64 H64 120.0 . .
C65 C64 H64 120.0 . .
C60 C65 C64 121.0(3) . .
C60 C65 H65 119.5 . .
C64 C65 H65 119.5 . .
O7 C66 O8 125.1(4) . .
O7 C66 C63 118.3(3) . .
O8 C66 C63 116.7(4) . .
C19 N1 C2 113.0(3) . .
C19 N1 C35 110.1(3) . .
C2 N1 C35 113.0(3) . .
C19 N1 Ni1 104.5(2) . .
C2 N1 Ni1 105.96(19) . .
C35 N1 Ni1 109.8(2) . .
C51 N2 C1 113.4(3) . .
C51 N2 C3 111.1(3) . .
C1 N2 C3 112.3(3) . .
C51 N2 Ni1 104.2(2) . .
C1 N2 Ni1 105.6(2) . .
C3 N2 Ni1 109.8(2) . .
C4 N3 C5 106.0(3) . .
C4 N3 Ni1 112.5(3) . .
C5 N3 Ni1 136.7(3) . .
C4 N4 C10 107.2(4) . .
C4 N4 C11 126.1(4) . .
C10 N4 C11 126.5(4) . .
C20 N5 C26 105.4(3) . .
C20 N5 Ni1 111.1(2) . .
C26 N5 Ni1 143.3(3) . .
C20 N6 C21 106.7(3) . .
C20 N6 C27 127.6(4) . .
C21 N6 C27 125.5(4) . .
C36 N7 C38 108.0(3) . .
C36 N7 C43 127.3(3) . .
C38 N7 C43 124.0(3) . .
C36 N8 C37 105.0(3) . .
C36 N8 Ni1 111.8(2) . .
C37 N8 Ni1 138.7(2) . .
C52 N9 C54 106.2(3) . .
C52 N9 C59 128.5(4) . .
C54 N9 C59 125.3(4) . .
C52 N10 C53 106.1(3) . .
C52 N10 Ni1 112.1(2) . .
C53 N10 Ni1 140.8(3) . .
C18 O2 Ni2 131.0(3) . 2_657
C50 O5 Ni2 88.1(2) . .
C50 O6 Ni2 90.3(3) . .
C66 O8 Ni2 129.9(3) . 1_445
H5A O5W H5B 120(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N10 2.083(3) .
Ni1 N3 2.089(3) .
Ni1 N8 2.092(3) .
Ni1 N5 2.104(3) .
Ni1 N1 2.181(3) .
Ni1 N2 2.186(3) .
Ni2 O1W 2.045(3) .
Ni2 O2W 2.052(3) .
Ni2 O2 2.087(3) 2_657
Ni2 O8 2.117(3) 1_665
Ni2 O6 2.155(3) .
Ni2 O5 2.219(3) .
Ni2 C50 2.503(4) .
C1 N2 1.487(4) .
C1 C2 1.515(5) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N1 1.487(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.481(6) .
C3 N2 1.501(5) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N3 1.304(5) .
C4 N4 1.360(5) .
C5 C6 1.382(7) .
C5 N3 1.407(5) .
C5 C10 1.413(6) .
C6 C7 1.399(8) .
C6 H6 0.9300 .
C7 C8 1.371(10) .
C7 H7 0.9300 .
C8 C9 1.367(10) .
C8 H8 0.9300 .
C9 C10 1.397(7) .
C9 H9 0.9300 .
C10 N4 1.373(6) .
C11 N4 1.466(5) .
C11 C12 1.525(6) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C17 1.372(7) .
C12 C13 1.376(6) .
C13 C14 1.383(6) .
C13 H13 0.9300 .
C14 C15 1.382(7) .
C14 H14 0.9300 .
C15 C16 1.393(6) .
C15 C18 1.503(6) .
C16 C17 1.397(6) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 O1 1.249(6) .
C18 O2 1.261(5) .
C19 N1 1.475(5) .
C19 C20 1.490(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N5 1.318(5) .
C20 N6 1.343(5) .
C21 C22 1.386(6) .
C21 C26 1.388(6) .
C21 N6 1.389(6) .
C22 C23 1.377(9) .
C22 H22 0.9300 .
C23 C24 1.390(9) .
C23 H23 0.9300 .
C24 C25 1.365(7) .
C24 H24 0.9300 .
C25 C26 1.397(6) .
C25 H25 0.9300 .
C26 N5 1.391(5) .
C27 N6 1.470(6) .
C27 C28 1.478(6) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.387(6) .
C28 C33 1.387(6) .
C29 C30 1.390(6) .
C29 H29 0.9300 .
C30 C31 1.376(6) .
C30 H30 0.9300 .
C31 C32 1.390(7) .
C31 C34 1.504(7) .
C32 C33 1.364(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 O3 1.255(6) .
C34 O4 1.266(6) .
C35 C36 1.483(5) .
C35 N1 1.491(4) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 N8 1.336(4) .
C36 N7 1.339(5) .
C37 C38 1.379(5) .
C37 N8 1.393(5) .
C37 C42 1.404(6) .
C38 C39 1.379(6) .
C38 N7 1.390(5) .
C39 C40 1.374(7) .
C39 H39 0.9300 .
C40 C41 1.371(8) .
C40 H40 0.9300 .
C41 C42 1.383(7) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 N7 1.474(4) .
C43 C44 1.501(5) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.372(6) .
C44 C49 1.378(5) .
C45 C46 1.377(6) .
C45 H45 0.9300 .
C46 C47 1.385(6) .
C46 H46 0.9300 .
C47 C48 1.353(6) .
C47 C50 1.515(5) .
C48 C49 1.383(6) .
C48 H48 0.9300 .
C49 H49 0.9300 .
C50 O5 1.235(5) .
C50 O6 1.261(5) .
C51 N2 1.462(5) .
C51 C52 1.498(6) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 N10 1.312(5) .
C52 N9 1.358(4) .
C53 C58 1.377(7) .
C53 N10 1.406(5) .
C53 C54 1.411(6) .
C54 N9 1.371(6) .
C54 C55 1.418(6) .
C55 C56 1.349(10) .
C55 H55 0.9300 .
C56 C57 1.378(10) .
C56 H56 0.9300 .
C57 C58 1.389(7) .
C57 H57 0.9300 .
C58 H58 0.9300 .
C59 N9 1.436(6) .
C59 C60 1.497(6) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C65 1.364(6) .
C60 C61 1.377(6) .
C61 C62 1.364(7) .
C61 H61 0.9300 .
C62 C63 1.339(6) .
C62 H62 0.9300 .
C63 C64 1.390(5) .
C63 C66 1.500(5) .
C64 C65 1.391(6) .
C64 H64 0.9300 .
C65 H65 0.9300 .
C66 O7 1.249(5) .
C66 O8 1.257(4) .
O2 Ni2 2.088(3) 2_657
O8 Ni2 2.117(3) 1_445
O9W O9W' 1.27(2) .
O8W O8W' 1.43(3) .
O7W O7W' 1.12(2) .
O5W H5A 0.80(17) .
O5W H5B 0.80(2) .
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
N2 C1 C2 N1 -59.8(4) . .
N2 C3 C4 N3 -15.5(5) . .
N2 C3 C4 N4 164.6(3) . .
N3 C5 C6 C7 -179.2(5) . .
C10 C5 C6 C7 2.3(8) . .
C5 C6 C7 C8 -2.4(10) . .
C6 C7 C8 C9 1.2(13) . .
C7 C8 C9 C10 0.1(12) . .
C8 C9 C10 N4 -179.8(6) . .
C8 C9 C10 C5 -0.2(9) . .
C6 C5 C10 N4 178.6(4) . .
N3 C5 C10 N4 -0.2(5) . .
C6 C5 C10 C9 -1.0(7) . .
N3 C5 C10 C9 -179.8(4) . .
N4 C11 C12 C17 127.3(4) . .
N4 C11 C12 C13 -54.4(6) . .
C17 C12 C13 C14 0.7(6) . .
C11 C12 C13 C14 -177.6(4) . .
C12 C13 C14 C15 -0.3(7) . .
C13 C14 C15 C16 -0.7(6) . .
C13 C14 C15 C18 -177.7(4) . .
C14 C15 C16 C17 1.2(6) . .
C18 C15 C16 C17 178.2(3) . .
C13 C12 C17 C16 -0.2(6) . .
C11 C12 C17 C16 178.2(4) . .
C15 C16 C17 C12 -0.8(6) . .
C14 C15 C18 O1 168.9(4) . .
C16 C15 C18 O1 -8.1(6) . .
C14 C15 C18 O2 -9.0(6) . .
C16 C15 C18 O2 174.0(4) . .
N1 C19 C20 N5 28.7(5) . .
N1 C19 C20 N6 -149.3(4) . .
C26 C21 C22 C23 -2.7(7) . .
N6 C21 C22 C23 177.1(5) . .
C21 C22 C23 C24 2.4(8) . .
C22 C23 C24 C25 -1.5(9) . .
C23 C24 C25 C26 0.7(8) . .
C22 C21 C26 N5 179.7(4) . .
N6 C21 C26 N5 -0.1(4) . .
C22 C21 C26 C25 2.2(7) . .
N6 C21 C26 C25 -177.7(4) . .
C24 C25 C26 C21 -1.1(6) . .
C24 C25 C26 N5 -178.1(4) . .
N6 C27 C28 C29 -129.5(5) . .
N6 C27 C28 C33 49.3(7) . .
C33 C28 C29 C30 -2.4(7) . .
C27 C28 C29 C30 176.5(4) . .
C28 C29 C30 C31 -1.1(7) . .
C29 C30 C31 C32 3.7(7) . .
C29 C30 C31 C34 -175.1(4) . .
C30 C31 C32 C33 -2.8(8) . .
C34 C31 C32 C33 176.0(5) . .
C31 C32 C33 C28 -0.8(9) . .
C29 C28 C33 C32 3.3(8) . .
C27 C28 C33 C32 -175.5(5) . .
C30 C31 C34 O3 -174.7(5) . .
C32 C31 C34 O3 6.5(7) . .
C30 C31 C34 O4 6.9(7) . .
C32 C31 C34 O4 -171.9(5) . .
N1 C35 C36 N8 -8.3(5) . .
N1 C35 C36 N7 172.8(3) . .
N8 C37 C38 C39 179.4(4) . .
C42 C37 C38 C39 -0.3(6) . .
N8 C37 C38 N7 -0.3(4) . .
C42 C37 C38 N7 180.0(4) . .
C37 C38 C39 C40 -1.7(7) . .
N7 C38 C39 C40 177.9(4) . .
C38 C39 C40 C41 3.1(9) . .
C39 C40 C41 C42 -2.5(10) . .
C40 C41 C42 C37 0.3(9) . .
C38 C37 C42 C41 1.0(7) . .
N8 C37 C42 C41 -178.7(5) . .
N7 C43 C44 C45 44.0(5) . .
N7 C43 C44 C49 -138.1(4) . .
C49 C44 C45 C46 1.4(7) . .
C43 C44 C45 C46 179.4(4) . .
C44 C45 C46 C47 -0.6(7) . .
C45 C46 C47 C48 0.3(6) . .
C45 C46 C47 C50 -179.6(4) . .
C46 C47 C48 C49 -0.9(7) . .
C50 C47 C48 C49 179.1(4) . .
C45 C44 C49 C48 -1.9(7) . .
C43 C44 C49 C48 -179.9(4) . .
C47 C48 C49 C44 1.7(7) . .
C48 C47 C50 O5 176.9(4) . .
C46 C47 C50 O5 -3.2(5) . .
C48 C47 C50 O6 -3.4(5) . .
C46 C47 C50 O6 176.5(4) . .
C48 C47 C50 Ni2 -34(5) . .
C46 C47 C50 Ni2 146(5) . .
O1W Ni2 C50 O5 170.7(2) . .
O2W Ni2 C50 O5 -0.6(3) . .
O2 Ni2 C50 O5 -91.0(2) 2_657 .
O8 Ni2 C50 O5 83.3(2) 1_665 .
O6 Ni2 C50 O5 -178.3(4) . .
O1W Ni2 C50 O6 -11.0(3) . .
O2W Ni2 C50 O6 177.7(2) . .
O2 Ni2 C50 O6 87.3(2) 2_657 .
O8 Ni2 C50 O6 -98.4(2) 1_665 .
O5 Ni2 C50 O6 178.3(4) . .
O1W Ni2 C50 C47 20(5) . .
O2W Ni2 C50 C47 -151(5) . .
O2 Ni2 C50 C47 118(5) 2_657 .
O8 Ni2 C50 C47 -67(5) 1_665 .
O6 Ni2 C50 C47 31(5) . .
O5 Ni2 C50 C47 -151(5) . .
N2 C51 C52 N10 35.6(5) . .
N2 C51 C52 N9 -140.4(4) . .
C58 C53 C54 N9 -177.7(4) . .
N10 C53 C54 N9 0.1(4) . .
C58 C53 C54 C55 -0.4(7) . .
N10 C53 C54 C55 177.4(4) . .
N9 C54 C55 C56 176.5(5) . .
C53 C54 C55 C56 0.1(7) . .
C54 C55 C56 C57 1.0(9) . .
C55 C56 C57 C58 -1.7(10) . .
N10 C53 C58 C57 -177.6(5) . .
C54 C53 C58 C57 -0.2(7) . .
C56 C57 C58 C53 1.3(9) . .
N9 C59 C60 C65 59.2(6) . .
N9 C59 C60 C61 -124.0(5) . .
C65 C60 C61 C62 -3.8(10) . .
C59 C60 C61 C62 179.2(6) . .
C60 C61 C62 C63 0.5(11) . .
C61 C62 C63 C64 2.0(9) . .
C61 C62 C63 C66 -178.6(6) . .
C62 C63 C64 C65 -1.2(6) . .
C66 C63 C64 C65 179.4(4) . .
C61 C60 C65 C64 4.5(7) . .
C59 C60 C65 C64 -178.6(4) . .
C63 C64 C65 C60 -2.2(6) . .
C62 C63 C66 O7 160.3(5) . .
C64 C63 C66 O7 -20.3(5) . .
C62 C63 C66 O8 -20.7(6) . .
C64 C63 C66 O8 158.7(3) . .
C20 C19 N1 C2 -159.8(3) . .
C20 C19 N1 C35 72.8(3) . .
C20 C19 N1 Ni1 -45.0(3) . .
C1 C2 N1 C19 155.3(3) . .
C1 C2 N1 C35 -78.8(3) . .
C1 C2 N1 Ni1 41.5(3) . .
C36 C35 N1 C19 -122.2(3) . .
C36 C35 N1 C2 110.3(3) . .
C36 C35 N1 Ni1 -7.7(3) . .
N10 Ni1 N1 C19 -154.8(3) . .
N3 Ni1 N1 C19 -53.4(2) . .
N8 Ni1 N1 C19 131.8(2) . .
N5 Ni1 N1 C19 38.7(2) . .
N2 Ni1 N1 C19 -132.8(2) . .
N10 Ni1 N1 C2 -35.2(4) . .
N3 Ni1 N1 C2 66.2(2) . .
N8 Ni1 N1 C2 -108.6(2) . .
N5 Ni1 N1 C2 158.3(2) . .
N2 Ni1 N1 C2 -13.2(2) . .
N10 Ni1 N1 C35 87.2(4) . .
N3 Ni1 N1 C35 -171.5(2) . .
N8 Ni1 N1 C35 13.8(2) . .
N5 Ni1 N1 C35 -79.3(2) . .
N2 Ni1 N1 C35 109.1(2) . .
C52 C51 N2 C1 -159.7(3) . .
C52 C51 N2 C3 72.8(4) . .
C52 C51 N2 Ni1 -45.4(3) . .
C2 C1 N2 C51 157.4(3) . .
C2 C1 N2 C3 -75.7(4) . .
C2 C1 N2 Ni1 44.0(3) . .
C4 C3 N2 C51 -112.5(4) . .
C4 C3 N2 C1 119.4(3) . .
C4 C3 N2 Ni1 2.2(4) . .
N10 Ni1 N2 C51 35.7(2) . .
N3 Ni1 N2 C51 124.5(2) . .
N8 Ni1 N2 C51 -56.5(2) . .
N5 Ni1 N2 C51 -158.3(3) . .
N1 Ni1 N2 C51 -136.3(2) . .
N10 Ni1 N2 C1 155.4(3) . .
N3 Ni1 N2 C1 -115.8(3) . .
N8 Ni1 N2 C1 63.2(2) . .
N5 Ni1 N2 C1 -38.6(4) . .
N1 Ni1 N2 C1 -16.6(2) . .
N10 Ni1 N2 C3 -83.3(2) . .
N3 Ni1 N2 C3 5.5(2) . .
N8 Ni1 N2 C3 -175.5(2) . .
N5 Ni1 N2 C3 82.7(4) . .
N1 Ni1 N2 C3 104.7(2) . .
N4 C4 N3 C5 0.2(4) . .
C3 C4 N3 C5 -179.7(4) . .
N4 C4 N3 Ni1 -159.6(2) . .
C3 C4 N3 Ni1 20.6(5) . .
C6 C5 N3 C4 -178.7(5) . .
C10 C5 N3 C4 0.0(4) . .
C6 C5 N3 Ni1 -26.4(7) . .
C10 C5 N3 Ni1 152.2(3) . .
N10 Ni1 N3 C4 64.8(3) . .
N8 Ni1 N3 C4 -23.4(13) . .
N5 Ni1 N3 C4 -171.5(3) . .
N1 Ni1 N3 C4 -94.3(3) . .
N2 Ni1 N3 C4 -13.5(3) . .
N10 Ni1 N3 C5 -86.2(4) . .
N8 Ni1 N3 C5 -174.4(10) . .
N5 Ni1 N3 C5 37.5(4) . .
N1 Ni1 N3 C5 114.7(4) . .
N2 Ni1 N3 C5 -164.5(4) . .
N3 C4 N4 C10 -0.3(5) . .
C3 C4 N4 C10 179.6(4) . .
N3 C4 N4 C11 174.1(3) . .
C3 C4 N4 C11 -6.1(6) . .
C9 C10 N4 C4 179.9(5) . .
C5 C10 N4 C4 0.3(4) . .
C9 C10 N4 C11 5.6(8) . .
C5 C10 N4 C11 -174.1(4) . .
C12 C11 N4 C4 -76.7(5) . .
C12 C11 N4 C10 96.6(5) . .
N6 C20 N5 C26 -0.1(4) . .
C19 C20 N5 C26 -178.4(3) . .
N6 C20 N5 Ni1 -176.5(3) . .
C19 C20 N5 Ni1 5.2(4) . .
C21 C26 N5 C20 0.1(4) . .
C25 C26 N5 C20 177.4(4) . .
C21 C26 N5 Ni1 174.6(3) . .
C25 C26 N5 Ni1 -8.2(7) . .
N10 Ni1 N5 C20 161.3(2) . .
N3 Ni1 N5 C20 72.5(3) . .
N8 Ni1 N5 C20 -104.6(3) . .
N1 Ni1 N5 C20 -24.6(2) . .
N2 Ni1 N5 C20 -2.2(5) . .
N10 Ni1 N5 C26 -13.0(5) . .
N3 Ni1 N5 C26 -101.8(4) . .
N8 Ni1 N5 C26 81.1(4) . .
N1 Ni1 N5 C26 161.2(5) . .
N2 Ni1 N5 C26 -176.5(4) . .
N5 C20 N6 C21 0.0(4) . .
C19 C20 N6 C21 178.2(4) . .
N5 C20 N6 C27 176.0(4) . .
C19 C20 N6 C27 -5.9(6) . .
C22 C21 N6 C20 -179.8(5) . .
C26 C21 N6 C20 0.1(4) . .
C22 C21 N6 C27 4.2(7) . .
C26 C21 N6 C27 -176.0(4) . .
C28 C27 N6 C20 -112.4(5) . .
C28 C27 N6 C21 62.8(6) . .
N8 C36 N7 C38 -0.6(4) . .
C35 C36 N7 C38 178.4(3) . .
N8 C36 N7 C43 169.5(3) . .
C35 C36 N7 C43 -11.4(6) . .
C37 C38 N7 C36 0.5(4) . .
C39 C38 N7 C36 -179.1(4) . .
C37 C38 N7 C43 -170.0(3) . .
C39 C38 N7 C43 10.3(6) . .
C44 C43 N7 C36 -99.0(4) . .
C44 C43 N7 C38 69.7(5) . .
N7 C36 N8 C37 0.4(4) . .
C35 C36 N8 C37 -178.7(3) . .
N7 C36 N8 Ni1 -160.5(2) . .
C35 C36 N8 Ni1 20.5(4) . .
C38 C37 N8 C36 -0.1(4) . .
C42 C37 N8 C36 179.6(5) . .
C38 C37 N8 Ni1 152.5(3) . .
C42 C37 N8 Ni1 -27.8(7) . .
N10 Ni1 N8 C36 -177.8(2) . .
N3 Ni1 N8 C36 -89.9(12) . .
N5 Ni1 N8 C36 58.4(2) . .
N1 Ni1 N8 C36 -18.2(2) . .
N2 Ni1 N8 C36 -99.6(2) . .
N10 Ni1 N8 C37 30.9(4) . .
N3 Ni1 N8 C37 118.8(12) . .
N5 Ni1 N8 C37 -93.0(4) . .
N1 Ni1 N8 C37 -169.5(4) . .
N2 Ni1 N8 C37 109.0(4) . .
N10 C52 N9 C54 -1.7(5) . .
C51 C52 N9 C54 174.5(4) . .
N10 C52 N9 C59 -179.9(4) . .
C51 C52 N9 C59 -3.7(6) . .
C53 C54 N9 C52 0.9(4) . .
C55 C54 N9 C52 -175.9(5) . .
C53 C54 N9 C59 179.2(4) . .
C55 C54 N9 C59 2.4(7) . .
C60 C59 N9 C52 -116.9(5) . .
C60 C59 N9 C54 65.2(6) . .
N9 C52 N10 C53 1.8(4) . .
C51 C52 N10 C53 -174.7(4) . .
N9 C52 N10 Ni1 172.6(3) . .
C51 C52 N10 Ni1 -3.9(5) . .
C58 C53 N10 C52 176.5(5) . .
C54 C53 N10 C52 -1.2(4) . .
C58 C53 N10 Ni1 10.0(7) . .
C54 C53 N10 Ni1 -167.6(3) . .
N3 Ni1 N10 C52 -99.2(3) . .
N8 Ni1 N10 C52 75.3(3) . .
N5 Ni1 N10 C52 168.3(2) . .
N1 Ni1 N10 C52 4.2(5) . .
N2 Ni1 N10 C52 -18.1(3) . .
N3 Ni1 N10 C53 66.8(4) . .
N8 Ni1 N10 C53 -118.7(4) . .
N5 Ni1 N10 C53 -25.8(5) . .
N1 Ni1 N10 C53 170.1(4) . .
N2 Ni1 N10 C53 147.9(4) . .
O1 C18 O2 Ni2 -8.3(7) . 2_657
C15 C18 O2 Ni2 169.4(3) . 2_657
O6 C50 O5 Ni2 -1.7(4) . .
C47 C50 O5 Ni2 178.0(3) . .
O1W Ni2 O5 C50 -16.8(4) . .
O2W Ni2 O5 C50 179.5(2) . .
O2 Ni2 O5 C50 89.7(2) 2_657 .
O8 Ni2 O5 C50 -95.7(2) 1_665 .
O6 Ni2 O5 C50 1.0(2) . .
O5 C50 O6 Ni2 1.7(4) . .
C47 C50 O6 Ni2 -177.9(3) . .
O1W Ni2 O6 C50 170.8(2) . .
O2W Ni2 O6 C50 -6.2(6) . .
O2 Ni2 O6 C50 -93.0(2) 2_657 .
O8 Ni2 O6 C50 82.7(2) 1_665 .
O5 Ni2 O6 C50 -1.0(2) . .
O7 C66 O8 Ni2 -15.7(6) . 1_445
C63 C66 O8 Ni2 165.4(2) . 1_445
