data_NIGLUBIPY

_publ_requested_journal           '?'
_audit_creation_method            SHELXL-97
_chemical_formula_moiety          'C15 H17 N3 Ni O5, 0.39(C H4 O), 3.5(H2 O)'
_chemical_formula_sum             'C15.39 H25.53 N3 Ni O8.89'
_chemical_formula_weight          453.41
_chemical_melting_point           ?
_chemical_name_common             'Ni(L-glu)(bipy)'
_chemical_name_systematic         'Ni(L-glu)(bipy)'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'O' 'O' -0.0041 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'C' 'C' -0.0020 0.0015 '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'
 'Ni' 'Ni' 0.2319 1.0630 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' -0.0030 0.0031 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            'Monoclinic'
_symmetry_space_group_name_H-M    'P 1 21 1'
_symmetry_space_group_name_Hall   'P 2yb'
loop_
  _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_angle_alpha                 90.00
_cell_angle_beta                  90.899(2)
_cell_angle_gamma                 90.00
_cell_formula_units_Z             4
_cell_length_a                    9.2879(12)
_cell_length_b                    18.850(2)
_cell_length_c                    11.3502(14)
_cell_measurement_reflns_used     ?
_cell_measurement_temperature     150
_cell_measurement_theta_max       ?
_cell_measurement_theta_min       ?
_cell_volume                      1986.9(4)
_exptl_absorpt_coefficient_mu     0.951
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details    'SADABS-2008/1 (Bruker-Nonius, 2008)'
_exptl_crystal_F_000              952
_exptl_crystal_colour             green
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    ?
_exptl_crystal_density_diffrn     1.516
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_description        plate
_exptl_crystal_size_max           0.1
_exptl_crystal_size_mid           0.1
_exptl_crystal_size_min           0.05
_exptl_special_details            
;
 Beam decay, scaling and absorption correction undertaken
 using SADABS-2004/1 (Bruker-Nonius, 2004)
;
_diffrn_ambient_temperature       150
_diffrn_detector                  'CCD area detector'
_diffrn_detector_area_resol_mean  ?
_diffrn_detector_type             'Bruker-Nonius APEXII CCD area detector'
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device        
;
Bruker-Nonius APEXII CCD area detector and D8 diffractometer
;
_diffrn_measurement_device_type   'Bruker D8 diffractometer'
_diffrn_measurement_method        'omega rotation'
_diffrn_radiation_collimation     '0.2 mm double-pinhole'
_diffrn_radiation_monochromator   'Silicon 111'
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            synchrotron
_diffrn_radiation_wavelength      0.69110
_diffrn_reflns_av_R_equivalents   0.0000
_diffrn_reflns_av_sigmaI/netI     0.0814
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_k_max        28
_diffrn_reflns_limit_k_min        -27
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_number             24648
_diffrn_reflns_theta_full         31.06
_diffrn_reflns_theta_max          31.06
_diffrn_reflns_theta_min          1.74
_diffrn_source                    synchrotron
_diffrn_source_type               'Station 9.8, SRS, Daresbury'
_diffrn_standards_decay_%         ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_number          ?
_reflns_number_gt                 19043
_reflns_number_total              24648
_reflns_threshold_expression      >2sigma(I)
_computing_cell_refinement        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics     
;
 OLEX2: a complete structure solution, refinement and analysis program.
 Dolomanov et al., J. Appl. Cryst. (2009). 42, 339-341
;
_computing_publication_material   
;
 OLEX2: a complete structure solution, refinement and analysis program.
 Dolomanov et al., J. Appl. Cryst. (2009). 42, 339-341
;
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max          1.136
_refine_diff_density_min          -0.690
_refine_diff_density_rms          0.082
_refine_ls_R_factor_all           0.0737
_refine_ls_R_factor_gt            0.0586
_refine_ls_abs_structure_Flack    0.031(10)
_refine_ls_abs_structure_details  'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_extinction_coef        ?
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    0.930
_refine_ls_hydrogen_treatment     noref
_refine_ls_matrix_type            full
_refine_ls_number_parameters      572
_refine_ls_number_reflns          24648
_refine_ls_number_restraints      198
_refine_ls_restrained_S_all       0.927
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_wR_factor_gt           0.1327
_refine_ls_wR_factor_ref          0.1391
_refine_ls_weighting_details      
;
calc w=1/[σ²(Fo²)+(0.0785P)²+0.0000P] where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_special_details           
;
 Refinement of F² against ALL reflections. The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement. R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
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
 C60 C 0.5250(6) 0.7417(2) 0.4471(3) 0.0398(11) Uani 1 1 d U . .
 H60 H 0.5705 0.7039 0.4068 0.048 Uiso 1 1 calc R . .
 O1W O 0.7166(3) 0.60860(15) 0.7496(2) 0.0302(5) Uani 1 1 d D . .
 O2W O 0.6598(3) 0.74293(13) 0.82230(18) 0.0198(4) Uani 1 1 d D . .
 O4W O 0.3990(3) 1.03923(16) 0.44032(19) 0.0321(6) Uani 1 1 d . . .
 O6W O 1.2310(3) 1.09049(14) 0.8337(2) 0.0273(5) Uani 1 1 d D . .
 O3W O 0.3264(3) 1.08903(14) 0.6068(2) 0.0286(5) Uani 1 1 d . . .
 O7W O 0.1191(4) 1.1452(2) 0.4605(3) 0.0478(8) Uani 1 1 d D . .
 O8W O 0.2319(3) 0.62646(15) 1.0310(2) 0.0307(5) Uani 1 1 d . . .
 O5W O 0.0388(3) 0.63700(15) 1.1415(2) 0.0306(5) Uani 1 1 d . . .
 C73 C 0.1050(4) 0.64357(17) 1.0443(3) 0.0229(6) Uani 1 1 d U . .
 C49 C 0.4126(4) 1.05160(18) 0.5489(3) 0.0234(6) Uani 1 1 d U . .
 C C 0.0174(4) 0.6770(2) 0.9439(3) 0.0289(7) Uani 1 1 d . . .
 HB H 0.0152 0.7289 0.9569 0.035 Uiso 1 1 calc R . .
 HA H -0.0828 0.6596 0.9492 0.035 Uiso 1 1 calc R . .
 O11W O 0.3463(4) 0.55742(19) 0.6781(2) 0.0413(7) Uani 1 1 d D . .
 O12W O 0.3611(3) 0.51633(16) 0.9113(2) 0.0376(6) Uani 1 1 d D . .
 O13W O 0.6508(3) 0.5386(2) 0.9505(2) 0.0423(7) Uani 1 1 d D . .
 O14W O -0.1540(4) 1.0982(2) 0.5001(3) 0.0481(8) Uani 1 1 d D . .
 O16W O 0.1999(4) 0.6911(2) 1.3260(3) 0.0398(10) Uani 0.774(7) 1 d P . .
 H16 H 0.1496 0.6573 1.2999 0.060 Uiso 0.774(7) 1 calc PR . .
 Ni1 Ni 0.95300(4) 0.913041(19) 0.75527(3) 0.01427(7) Uani 1 1 d D . .
 Ni2 Ni 0.45566(4) 0.788720(19) 0.81992(3) 0.01431(7) Uani 1 1 d D . .
 N3 N 0.9614(3) 0.90998(18) 0.56938(19) 0.0202(5) Uani 1 1 d . . .
 O23 O 0.7528(2) 0.86964(12) 0.75218(17) 0.0175(4) Uani 1 1 d . . .
 O4 O 1.1587(3) 0.95596(13) 0.75753(18) 0.0198(4) Uani 1 1 d D . .
 O1 O 0.2539(2) 0.83155(12) 0.82237(17) 0.0181(4) Uani 1 1 d . . .
 N2 N 0.4712(3) 0.79539(17) 1.0053(2) 0.0202(5) Uani 1 1 d . . .
 N1 N 0.9490(3) 0.91449(17) 0.94291(19) 0.0177(4) Uani 1 1 d . . .
 O2 O 0.5305(2) 0.89125(11) 0.81341(17) 0.0173(4) Uani 1 1 d . . .
 N8 N 0.4510(3) 0.78972(17) 0.63152(19) 0.0180(4) Uani 1 1 d . . .
 C53 C 0.4744(4) 0.79905(19) 0.2525(2) 0.0185(6) Uani 1 1 d U . .
 O O 0.0292(2) 0.81013(11) 0.76100(17) 0.0192(4) Uani 1 1 d . . .
 N4 N 0.3347(3) 0.69648(14) 0.8232(2) 0.0176(5) Uani 1 1 d . . .
 H4C H 0.3788 0.6618 0.7798 0.021 Uiso 1 1 calc R . .
 H4D H 0.3270 0.6806 0.8995 0.021 Uiso 1 1 calc R . .
 C7 C 0.9544(4) 0.9133(2) 0.3212(2) 0.0233(7) Uani 1 1 d U . .
 C5 C 0.9524(3) 0.9132(2) 1.1906(2) 0.0209(6) Uani 1 1 d U . .
 C10 C 0.4697(4) 0.79788(19) 0.3845(2) 0.0202(6) Uani 1 1 d U . .
 N N 0.8307(3) 1.00548(14) 0.7466(2) 0.0175(5) Uani 1 1 d . . .
 HD H 0.8750 1.0409 0.7895 0.021 Uiso 1 1 calc R . .
 HC H 0.8215 1.0204 0.6696 0.021 Uiso 1 1 calc R . .
 C45 C 0.6539(3) 0.91091(17) 0.7850(2) 0.0158(5) Uani 1 1 d U . .
 C42 C 0.1545(3) 0.79073(17) 0.7878(2) 0.0171(5) Uani 1 1 d U . .
 C544 C 0.5226(4) 0.7413(2) 0.0693(3) 0.0248(7) Uani 1 1 d U . .
 H54 H 0.5583 0.7010 0.0290 0.030 Uiso 1 1 calc R . .
 C1 C 1.0155(4) 0.96548(19) 1.0054(3) 0.0240(7) Uani 1 1 d U . .
 H1 H 1.0612 1.0028 0.9640 0.029 Uiso 1 1 calc R . .
 C41 C 0.1908(3) 0.71144(16) 0.7735(2) 0.0180(5) Uani 1 1 d U . .
 H41 H 0.1968 0.7026 0.6869 0.022 Uiso 1 1 calc R . .
 C2 C 0.8833(4) 0.86351(18) 1.0036(3) 0.0219(6) Uani 1 1 d U . .
 H2 H 0.8352 0.8270 0.9609 0.026 Uiso 1 1 calc R . .
 C46 C 0.6871(3) 0.99014(16) 0.7951(2) 0.0154(5) Uani 1 1 d U . .
 H46 H 0.6916 1.0019 0.8810 0.018 Uiso 1 1 calc R . .
 C14 C 1.0209(4) 0.9665(2) 1.1271(3) 0.0245(7) Uani 1 1 d U . .
 H14 H 1.0711 1.0033 1.1674 0.029 Uiso 1 1 calc R . .
 C54 C 0.5266(4) 0.74101(18) 0.1916(3) 0.0253(7) Uani 1 1 d U . .
 H54A H 0.5648 0.7013 0.2332 0.030 Uiso 1 1 calc R . .
 C48 C 0.5645(3) 1.03454(17) 0.7400(2) 0.0189(6) Uani 1 1 d U . .
 H48A H 0.4735 1.0233 0.7802 0.023 Uiso 1 1 calc R . .
 H48B H 0.5852 1.0855 0.7526 0.023 Uiso 1 1 calc R . .
 C3 C 0.8815(4) 0.8611(2) 1.1256(3) 0.0240(7) Uani 1 1 d U . .
 H3 H 0.8320 0.8239 1.1646 0.029 Uiso 1 1 calc R . .
 C43 C 0.0687(4) 0.66372(19) 0.8186(3) 0.0238(7) Uani 1 1 d U . .
 H43B H -0.0151 0.6691 0.7643 0.029 Uiso 1 1 calc R . .
 H43A H 0.1010 0.6138 0.8135 0.029 Uiso 1 1 calc R . .
 C22 C 0.3983(4) 0.8449(2) 0.5699(3) 0.0286(8) Uani 1 1 d U . .
 H22 H 0.3520 0.8817 0.6119 0.034 Uiso 1 1 calc R . .
 C0AA C 0.5457(4) 1.0207(2) 0.6093(3) 0.0278(7) Uani 1 1 d . . .
 H0AA H 0.5446 0.9687 0.5971 0.033 Uiso 1 1 calc R . .
 H0AB H 0.6315 1.0395 0.5690 0.033 Uiso 1 1 calc R . .
 C9 C 0.4074(5) 0.8514(2) 0.4485(3) 0.0299(8) Uani 1 1 d U . .
 H9 H 0.3709 0.8925 0.4098 0.036 Uiso 1 1 calc R . .
 C20 C 1.0498(4) 0.9511(2) 0.5076(3) 0.0278(7) Uani 1 1 d U . .
 H20 H 1.1160 0.9804 0.5497 0.033 Uiso 1 1 calc R . .
 C51 C 0.4241(4) 0.85192(19) 0.0641(3) 0.0276(8) Uani 1 1 d U . .
 H51 H 0.3879 0.8912 0.0204 0.033 Uiso 1 1 calc R . .
 C6 C 1.0502(4) 0.9534(2) 0.3860(3) 0.0273(7) Uani 1 1 d U . .
 H6 H 1.1172 0.9829 0.3470 0.033 Uiso 1 1 calc R . .
 C52 C 0.4257(5) 0.85590(19) 0.1859(3) 0.0311(8) Uani 1 1 d U . .
 H52 H 0.3932 0.8978 0.2238 0.037 Uiso 1 1 calc R . .
 C23 C 0.5151(5) 0.7395(2) 0.5688(3) 0.0378(10) Uani 1 1 d U . .
 H23 H 0.5561 0.7002 0.6094 0.045 Uiso 1 1 calc R . .
 C21 C 0.8664(6) 0.8720(3) 0.5071(3) 0.0494(14) Uani 1 1 d U . .
 H21 H 0.8024 0.8420 0.5484 0.059 Uiso 1 1 calc R . .
 C8 C 0.8560(6) 0.8738(3) 0.3842(3) 0.0558(15) Uani 1 1 d U . .
 H8 H 0.7820 0.8481 0.3441 0.067 Uiso 1 1 calc R . .
 C1AA C 0.1109(8) 0.7485(4) 1.3519(6) 0.0575(18) Uani 0.774(7) 1 d P . .
 H1AB H 0.1166 0.7838 1.2888 0.086 Uiso 0.774(7) 1 calc PR . .
 H1AC H 0.1423 0.7699 1.4266 0.086 Uiso 0.774(7) 1 calc PR . .
 H1AA H 0.0113 0.7320 1.3585 0.086 Uiso 0.774(7) 1 calc PR . .
 H1WB H 0.781(5) 0.581(3) 0.720(5) 0.086 Uiso 1 1 d D . .
 H1WA H 0.639(4) 0.598(3) 0.712(5) 0.086 Uiso 1 1 d D . .
 H2WA H 0.663(5) 0.7020(15) 0.792(5) 0.086 Uiso 1 1 d D . .
 H2WB H 0.722(4) 0.769(2) 0.789(5) 0.086 Uiso 1 1 d D . .
 H6WA H 1.245(7) 1.105(3) 0.762(3) 0.086 Uiso 1 1 d D . .
 H6WB H 1.158(5) 1.116(3) 0.850(5) 0.086 Uiso 1 1 d D . .
 H7WB H 0.035(3) 1.148(4) 0.483(5) 0.086 Uiso 1 1 d D . .
 H7WA H 0.183(5) 1.123(3) 0.498(4) 0.086 Uiso 1 1 d D . .
 H11A H 0.404(5) 0.525(3) 0.654(5) 0.086 Uiso 1 1 d D . .
 H11B H 0.272(4) 0.561(4) 0.637(5) 0.086 Uiso 1 1 d D . .
 H12B H 0.313(7) 0.549(3) 0.947(4) 0.086 Uiso 1 1 d D . .
 H12A H 0.335(7) 0.523(3) 0.839(2) 0.086 Uiso 1 1 d D . .
 H14B H -0.172(7) 1.134(2) 0.550(5) 0.086 Uiso 1 1 d D . .
 H14A H -0.067(3) 1.098(4) 0.481(5) 0.086 Uiso 1 1 d D . .
 H4A H 1.232(3) 0.9292(18) 0.777(5) 0.086 Uiso 1 1 d D . .
 H4B H 1.179(4) 0.9960(16) 0.786(5) 0.086 Uiso 1 1 d D . .
 H13B H 0.674(6) 0.552(3) 1.021(3) 0.086 Uiso 1 1 d D . .
 H13A H 0.560(2) 0.536(4) 0.943(5) 0.086 Uiso 1 1 d D . .


_geom_special_details             
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix. The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry. An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 C60 C10 1.371(5) . ?
 C60 C23 1.386(4) . ?
 O2W Ni2 2.083(2) . ?
 O4W C49 1.258(4) . ?
 O3W C49 1.260(4) . ?
 O8W C73 1.233(4) . ?
 O5W C73 1.277(4) . ?
 C73 C 1.526(4) . ?
 C49 C0AA 1.521(5) . ?
 C C43 1.528(5) . ?
 O16W C1AA 1.395(8) . ?
 Ni1 N3 2.113(2) . ?
 Ni1 O23 2.031(2) . ?
 Ni1 O4 2.074(2) . ?
 Ni1 N1 2.131(2) . ?
 Ni1 O 2.066(2) 1_655 ?
 Ni1 N 2.082(3) . ?
 Ni2 O1 2.041(2) . ?
 Ni2 N2 2.110(2) . ?
 Ni2 O2 2.056(2) . ?
 Ni2 N8 2.138(2) . ?
 Ni2 N4 2.071(3) . ?
 N3 C20 1.335(4) . ?
 N3 C21 1.331(5) . ?
 O23 C45 1.265(4) . ?
 O1 C42 1.260(4) . ?
 N2 C544 1.335(4) 1_556 ?
 N2 C51 1.335(4) 1_556 ?
 N1 C1 1.340(4) . ?
 N1 C2 1.335(4) . ?
 O2 C45 1.251(4) . ?
 N8 C22 1.341(4) . ?
 N8 C23 1.331(4) . ?
 C53 C10 1.499(4) . ?
 C53 C54 1.386(5) . ?
 C53 C52 1.383(5) . ?
 O Ni1 2.066(2) 1_455 ?
 O C42 1.253(4) . ?
 N4 C41 1.469(4) . ?
 C7 C5 1.481(3) 1_554 ?
 C7 C6 1.373(5) . ?
 C7 C8 1.387(5) . ?
 C5 C7 1.481(3) 1_556 ?
 C5 C14 1.395(5) . ?
 C5 C3 1.390(5) . ?
 C10 C9 1.376(5) . ?
 N C46 1.479(4) . ?
 C45 C46 1.529(4) . ?
 C42 C41 1.541(4) . ?
 C544 N2 1.335(4) 1_554 ?
 C544 C54 1.388(4) . ?
 C1 C14 1.381(4) . ?
 C41 C43 1.541(4) . ?
 C2 C3 1.386(4) . ?
 C46 C48 1.538(4) . ?
 C48 C0AA 1.514(4) . ?
 C22 C9 1.387(4) . ?
 C20 C6 1.381(4) . ?
 C51 N2 1.335(4) 1_554 ?
 C51 C52 1.385(4) . ?
 C21 C8 1.397(5) . ?

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
 C60 C10 C53 120.9(3) . . ?
 C60 C10 C9 116.7(3) . . ?
 O2W Ni2 N2 87.92(10) . . ?
 O2W Ni2 N8 91.18(9) . . ?
 O4W C49 O3W 124.0(3) . . ?
 O4W C49 C0AA 116.0(3) . . ?
 O3W C49 C0AA 119.9(3) . . ?
 O8W C73 O5W 123.7(3) . . ?
 O8W C73 C 121.0(3) . . ?
 O5W C73 C 115.3(3) . . ?
 C73 C C43 117.2(3) . . ?
 C C43 C41 117.0(3) . . ?
 N3 Ni1 N1 178.62(13) . . ?
 N3 C20 C6 123.7(3) . . ?
 N3 C21 C8 123.5(4) . . ?
 O23 Ni1 N3 91.14(9) . . ?
 O23 Ni1 O4 179.16(10) . . ?
 O23 Ni1 N1 89.54(9) . . ?
 O23 Ni1 O 86.31(9) . 1_655 ?
 O23 Ni1 N 80.64(10) . . ?
 O23 C45 C46 118.4(2) . . ?
 O4 Ni1 N3 88.54(10) . . ?
 O4 Ni1 N1 90.76(9) . . ?
 O4 Ni1 N 100.14(10) . . ?
 O1 Ni2 O2W 178.08(9) . . ?
 O1 Ni2 N2 90.65(9) . . ?
 O1 Ni2 O2 86.55(9) . . ?
 O1 Ni2 N8 90.35(9) . . ?
 O1 Ni2 N4 80.40(10) . . ?
 O1 C42 C41 117.7(3) . . ?
 N2 Ni2 N8 175.20(13) . . ?
 N2 C544 C54 123.4(3) 1_554 . ?
 N2 C51 C52 123.0(3) 1_554 . ?
 N1 C1 C14 123.2(3) . . ?
 N1 C2 C3 123.5(3) . . ?
 O2 Ni2 O2W 94.68(9) . . ?
 O2 Ni2 N2 87.82(10) . . ?
 O2 Ni2 N8 87.55(10) . . ?
 O2 Ni2 N4 166.90(10) . . ?
 O2 C45 O23 124.5(3) . . ?
 O2 C45 C46 117.1(3) . . ?
 N8 C22 C9 124.0(3) . . ?
 N8 C23 C60 123.3(3) . . ?
 C53 C54 C544 119.4(3) . . ?
 C53 C52 C51 120.1(3) . . ?
 O Ni1 N3 89.30(11) 1_655 . ?
 O Ni1 O4 92.90(9) 1_655 . ?
 O Ni1 N1 89.54(10) 1_655 . ?
 O Ni1 N 166.93(10) 1_655 . ?
 O C42 O1 124.8(3) . . ?
 O C42 C41 117.5(3) . . ?
 N4 Ni2 O2W 98.39(10) . . ?
 N4 Ni2 N2 93.47(11) . . ?
 N4 Ni2 N8 91.33(11) . . ?
 N4 C41 C42 110.2(2) . . ?
 N4 C41 C43 115.5(2) . . ?
 C7 C6 C20 120.4(3) . . ?
 C7 C8 C21 119.5(4) . . ?
 C10 C60 C23 120.6(3) . . ?
 C10 C9 C22 119.5(3) . . ?
 N Ni1 N3 90.23(11) . . ?
 N Ni1 N1 91.07(10) . . ?
 N C46 C45 110.2(2) . . ?
 N C46 C48 114.1(2) . . ?
 C45 O23 Ni1 114.60(19) . . ?
 C45 O2 Ni2 126.8(2) . . ?
 C45 C46 C48 110.7(2) . . ?
 C42 O1 Ni2 115.0(2) . . ?
 C42 O Ni1 126.8(2) . 1_455 ?
 C544 N2 Ni2 121.0(2) 1_556 . ?
 C1 N1 Ni1 121.5(2) . . ?
 C1 C14 C5 119.9(3) . . ?
 C41 N4 Ni2 108.80(19) . . ?
 C2 N1 Ni1 121.4(2) . . ?
 C2 N1 C1 117.0(2) . . ?
 C2 C3 C5 119.6(3) . . ?
 C46 N Ni1 108.25(18) . . ?
 C14 C5 C7 121.2(3) . 1_556 ?
 C54 C53 C10 120.2(3) . . ?
 C48 C0AA C49 117.1(3) . . ?
 C3 C5 C7 122.0(3) . 1_556 ?
 C3 C5 C14 116.8(3) . . ?
 C43 C41 C42 111.6(3) . . ?
 C22 N8 Ni2 122.0(2) . . ?
 C0AA C48 C46 112.2(2) . . ?
 C9 C10 C53 122.4(3) . . ?
 C20 N3 Ni1 122.7(2) . . ?
 C51 N2 Ni2 121.9(2) 1_556 . ?
 C51 N2 C544 117.0(3) 1_556 1_556 ?
 C6 C7 C5 122.3(3) . 1_554 ?
 C6 C7 C8 116.5(3) . . ?
 C52 C53 C10 122.9(3) . . ?
 C52 C53 C54 116.9(3) . . ?
 C23 N8 Ni2 121.8(2) . . ?
 C23 N8 C22 115.8(3) . . ?
 C21 N3 Ni1 120.7(2) . . ?
 C21 N3 C20 116.2(3) . . ?
 C8 C7 C5 121.2(3) . 1_554 ?