#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:27:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179920 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/15/7021563.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_7021563
loop_
_publ_author_name
'Abubekerov, Mark'
'Gianetti, Thomas L.'
'Kunishita, Atsushi'
'Arnold, John'
_publ_section_title
;
 Synthesis and characterization of coordinatively unsaturated nickel(ii)
 and manganese(ii) alkyl complexes supported by the
 hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10525
_journal_page_last               10532
_journal_paper_doi               10.1039/c3dt51087e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C34 H44 B N6 Ni Si, C3 H5'
_chemical_formula_sum            'C37 H44 B N6 Ni Si'
_chemical_formula_weight         670.39
_chemical_name_common            'Complex 5'
_chemical_temperature_decomposition 99.5(5)
_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
_cell_angle_alpha                94.8440(10)
_cell_angle_beta                 111.5260(10)
_cell_angle_gamma                117.1250(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3893(9)
_cell_length_b                   12.8526(9)
_cell_length_c                   14.1272(10)
_cell_measurement_reflns_used    9113
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.83
_cell_volume                     1774.3(2)
_computing_cell_refinement       'Bruker APEX2 v.2011.4'
_computing_data_collection       'Bruker APEX2 v.2011.4'
_computing_data_reduction        'Bruker APEX2 v.2011.4'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SIR-2004
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0139
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            39132
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.8764
_exptl_absorpt_correction_T_min  0.8367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.123
_refine_diff_density_min         -0.346
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         6474
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0319
_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)+(0.0460P)²+1.3482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                5947
_reflns_number_total             6474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51087e.txt
_cod_data_source_block           (3)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been given
as '99-100 (decomp.)'. The value was changed to '99.5(5)' - the
average value was taken and precision was
estimated.

'_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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021563
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_group
C1 C 0.05372(18) 0.29786(17) 0.83715(14) 0.0245(4) Uani 1 1 d . .
H1A H 0.0830 0.3669 0.8965 0.029 Uiso 1 1 calc R .
H1B H 0.0070 0.2217 0.8545 0.029 Uiso 1 1 calc R .
C2 C 0.3426(2) 0.3693(2) 0.98443(18) 0.0428(5) Uani 1 1 d . .
H2A H 0.3662 0.4517 1.0177 0.064 Uiso 1 1 calc R .
H2B H 0.4243 0.3725 0.9870 0.064 Uiso 1 1 calc R .
H2C H 0.3066 0.3138 1.0231 0.064 Uiso 1 1 calc R .
C3 C 0.1780(2) 0.1582(2) 0.7815(2) 0.0410(5) Uani 1 1 d . .
H3A H 0.1550 0.1049 0.8255 0.061 Uiso 1 1 calc R .
H3B H 0.2602 0.1690 0.7787 0.061 Uiso 1 1 calc R .
H3C H 0.1022 0.1206 0.7090 0.061 Uiso 1 1 calc R .
C4 C 0.2863(2) 0.41616(19) 0.76881(17) 0.0315(4) Uani 1 1 d . .
H4A H 0.2150 0.3964 0.6974 0.047 Uiso 1 1 calc R .
H4B H 0.3568 0.4051 0.7623 0.047 Uiso 1 1 calc R .
H4C H 0.3272 0.5016 0.8090 0.047 Uiso 1 1 calc R .
C5 C -0.6296(2) 0.0832(2) 0.57112(18) 0.0375(5) Uani 1 1 d . .
H5A H -0.6219 0.1538 0.6121 0.056 Uiso 1 1 calc R .
H5B H -0.7026 0.0072 0.5705 0.056 Uiso 1 1 calc R .
H5C H -0.6507 0.0857 0.4977 0.056 Uiso 1 1 calc R .
C6 C -0.49773(19) 0.08759(17) 0.62151(14) 0.0262(4) Uani 1 1 d . .
C7 C -0.47041(19) 0.00816(17) 0.67020(15) 0.0273(4) Uani 1 1 d . .
H7 H -0.5332 -0.0638 0.6784 0.033 Uiso 1 1 calc R .
C8 C -0.33175(19) 0.05479(16) 0.70507(14) 0.0231(4) Uani 1 1 d . .
C9 C -0.25567(19) 0.00060(16) 0.76400(15) 0.0253(4) Uani 1 1 d . .
C10 C -0.2720(3) -0.0307(2) 0.85168(18) 0.0398(5) Uani 1 1 d . .
H10 H -0.3273 -0.0133 0.8739 0.048 Uiso 1 1 calc R .
C11 C -0.2087(3) -0.0868(2) 0.9069(2) 0.0525(7) Uani 1 1 d . .
H11 H -0.2190 -0.1062 0.9677 0.063 Uiso 1 1 calc R .
C12 C -0.1308(3) -0.1149(2) 0.87438(19) 0.0481(6) Uani 1 1 d . .
H12 H -0.0881 -0.1542 0.9121 0.058 Uiso 1 1 calc R .
C13 C -0.1147(2) -0.08567(19) 0.78658(18) 0.0386(5) Uani 1 1 d . .
H13 H -0.0620 -0.1061 0.7633 0.046 Uiso 1 1 calc R .
C14 C -0.1755(2) -0.02651(18) 0.73227(16) 0.0294(4) Uani 1 1 d . .
H14 H -0.1621 -0.0045 0.6732 0.035 Uiso 1 1 calc R .
C15 C -0.4314(2) 0.34148(19) 0.36998(16) 0.0313(4) Uani 1 1 d . .
H15A H -0.5160 0.2684 0.3587 0.047 Uiso 1 1 calc R .
H15B H -0.4373 0.3527 0.3009 0.047 Uiso 1 1 calc R .
H15C H -0.4178 0.4137 0.4140 0.047 Uiso 1 1 calc R .
C16 C -0.31387(19) 0.32563(16) 0.42553(14) 0.0246(4) Uani 1 1 d . .
C17 C -0.22099(19) 0.32738(17) 0.39318(15) 0.0262(4) Uani 1 1 d . .
H17 H -0.2171 0.3403 0.3290 0.031 Uiso 1 1 calc R .
C18 C -0.13344(18) 0.30628(16) 0.47394(14) 0.0224(4) Uani 1 1 d . .
C19 C -0.02093(18) 0.29258(16) 0.47583(14) 0.0231(4) Uani 1 1 d . .
C20 C 0.00041(19) 0.20357(17) 0.51346(15) 0.0267(4) Uani 1 1 d . .
H20 H -0.0550 0.1536 0.5426 0.032 Uiso 1 1 calc R .
C21 C 0.1020(2) 0.18715(18) 0.50889(16) 0.0303(4) Uani 1 1 d . .
H21 H 0.1153 0.1258 0.5345 0.036 Uiso 1 1 calc R .
C22 C 0.1835(2) 0.25979(19) 0.46726(16) 0.0322(4) Uani 1 1 d . .
H22 H 0.2533 0.2489 0.4645 0.039 Uiso 1 1 calc R .
C23 C 0.1632(2) 0.34856(19) 0.42955(17) 0.0336(4) Uani 1 1 d . .
H23 H 0.2190 0.3983 0.4006 0.040 Uiso 1 1 calc R .
C24 C 0.0618(2) 0.36544(17) 0.43366(15) 0.0276(4) Uani 1 1 d . .
H24 H 0.0487 0.4267 0.4077 0.033 Uiso 1 1 calc R .
C25 C -0.3965(2) 0.4806(2) 0.71434(18) 0.0369(5) Uani 1 1 d . .
H25A H -0.4286 0.4829 0.6405 0.055 Uiso 1 1 calc R .
H25B H -0.3847 0.5503 0.7603 0.055 Uiso 1 1 calc R .
H25C H -0.4635 0.4038 0.7181 0.055 Uiso 1 1 calc R .
C26 C -0.2631(2) 0.48760(18) 0.75107(15) 0.0263(4) Uani 1 1 d . .
C27 C -0.1400(2) 0.56943(17) 0.83800(15) 0.0260(4) Uani 1 1 d . .
H27 H -0.1204 0.6365 0.8894 0.031 Uiso 1 1 calc R .
C28 C -0.04957(18) 0.53440(16) 0.83577(14) 0.0219(4) Uani 1 1 d . .
C29 C 0.09678(18) 0.59626(15) 0.91070(14) 0.0217(4) Uani 1 1 d . .
C30 C 0.1433(2) 0.65286(17) 1.01793(15) 0.0257(4) Uani 1 1 d . .
H30 H 0.0805 0.6513 1.0420 0.031 Uiso 1 1 calc R .
C31 C 0.2802(2) 0.71127(17) 1.08946(15) 0.0300(4) Uani 1 1 d . .
H31 H 0.3107 0.7485 1.1625 0.036 Uiso 1 1 calc R .
C32 C 0.3731(2) 0.71566(18) 1.05487(16) 0.0307(4) Uani 1 1 d . .
H32 H 0.4669 0.7549 1.1042 0.037 Uiso 1 1 calc R .
C33 C 0.3284(2) 0.66246(17) 0.94787(16) 0.0288(4) Uani 1 1 d . .
H33 H 0.3920 0.6670 0.9236 0.035 Uiso 1 1 calc R .
C34 C 0.19108(19) 0.60274(16) 0.87631(15) 0.0248(4) Uani 1 1 d . .
H34 H 0.1610 0.5659 0.8033 0.030 Uiso 1 1 calc R .
B1 B -0.3495(2) 0.2962(2) 0.59581(16) 0.0232(4) Uani 1 1 d . .
N1 N -0.27607(15) 0.15817(13) 0.67928(11) 0.0211(3) Uani 1 1 d . .
N2 N -0.38025(15) 0.17739(14) 0.62704(12) 0.0225(3) Uani 1 1 d . .
N3 N -0.17034(15) 0.29353(14) 0.55246(12) 0.0217(3) Uani 1 1 d . .
N4 N -0.28231(15) 0.30513(14) 0.52153(12) 0.0227(3) Uani 1 1 d . .
N5 N -0.11428(15) 0.43432(13) 0.75178(11) 0.0204(3) Uani 1 1 d . .
N6 N -0.24630(15) 0.40719(14) 0.69880(12) 0.0225(3) Uani 1 1 d . .
Si1 Si 0.20968(5) 0.31132(5) 0.84126(4) 0.02737(13) Uani 1 1 d . .
Ni1 Ni -0.08737(2) 0.29472(2) 0.707134(17) 0.01960(8) Uani 1 1 d . .
C35 C 0.4560(5) 0.9731(4) 0.9396(4) 0.0298(13) Uani 0.580(9) 1 d P 1
C37 C 0.2254(12) 0.8979(12) 0.7875(8) 0.053(2) Uani 0.580(9) 1 d P 1
H37A H 0.2700 0.9523 0.7518 0.079 Uiso 0.580(9) 1 calc PR 1
H37B H 0.1366 0.8890 0.7693 0.079 Uiso 0.580(9) 1 calc PR 1
H37C H 0.2122 0.8172 0.7638 0.079 Uiso 0.580(9) 1 calc PR 1
C36 C 0.3136(4) 0.9521(4) 0.9070(3) 0.0343(14) Uani 0.580(9) 1 d P 1
H36A H 0.2692 0.8960 0.9427 0.041 Uiso 0.580(9) 1 calc PR 1
H36B H 0.3221 1.0313 0.9312 0.041 Uiso 0.580(9) 1 calc PR 1
C36A C 0.3495(8) 0.9358(6) 0.8554(6) 0.057(3) Uani 0.420(9) 1 d P 2
H36C H 0.3616 0.8697 0.8297 0.068 Uiso 0.420(9) 1 calc PR 2
H36D H 0.3876 1.0027 0.8254 0.068 Uiso 0.420(9) 1 calc PR 2
C35A C 0.4282(8) 0.9841(6) 0.9751(7) 0.049(3) Uani 0.420(9) 1 d P 2
C37A C 0.1999(19) 0.8866(17) 0.8147(14) 0.074(5) Uani 0.420(9) 1 d P 2
H37D H 0.1588 0.8134 0.8362 0.111 Uiso 0.420(9) 1 calc PR 2
H37E H 0.1559 0.8651 0.7367 0.111 Uiso 0.420(9) 1 calc PR 2
H37F H 0.1872 0.9493 0.8449 0.111 Uiso 0.420(9) 1 calc PR 2
H1 H -0.440(2) 0.2969(19) 0.5579(16) 0.025(5) Uiso 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'
B B 0.0013 0.0007 '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'
Si Si 0.0817 0.0704 '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
Si1 C1 Ni1 122.07(10) .
Si1 C1 H1A 106.8 .
Ni1 C1 H1A 106.8 .
Si1 C1 H1B 106.8 .
Ni1 C1 H1B 106.8 .
H1A C1 H1B 106.7 .
Si1 C2 H2A 109.5 .
Si1 C2 H2B 109.5 .
H2A C2 H2B 109.5 .
Si1 C2 H2C 109.5 .
H2A C2 H2C 109.5 .
H2B C2 H2C 109.5 .
Si1 C3 H3A 109.5 .
Si1 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
Si1 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
Si1 C4 H4A 109.5 .
Si1 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
Si1 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C6 C5 H5A 109.5 .
C6 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C6 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
N2 C6 C7 107.84(16) .
N2 C6 C5 123.16(18) .
C7 C6 C5 128.99(18) .
C6 C7 C8 106.00(16) .
C6 C7 H7 127.0 .
C8 C7 H7 127.0 .
N1 C8 C7 110.01(16) .
N1 C8 C9 124.66(16) .
C7 C8 C9 125.31(17) .
C14 C9 C10 118.83(19) .
C14 C9 C8 123.10(17) .
C10 C9 C8 117.97(18) .
C11 C10 C9 120.7(2) .
C11 C10 H10 119.7 .
C9 C10 H10 119.7 .
C12 C11 C10 120.3(2) .
C12 C11 H11 119.8 .
C10 C11 H11 119.8 .
C11 C12 C13 119.8(2) .
C11 C12 H12 120.1 .
C13 C12 H12 120.1 .
C12 C13 C14 120.1(2) .
C12 C13 H13 119.9 .
C14 C13 H13 119.9 .
C9 C14 C13 120.2(2) .
C9 C14 H14 119.9 .
C13 C14 H14 119.9 .
C16 C15 H15A 109.5 .
C16 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C16 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
N4 C16 C17 107.55(16) .
N4 C16 C15 123.05(17) .
C17 C16 C15 129.40(17) .
C16 C17 C18 106.23(16) .
C16 C17 H17 126.9 .
C18 C17 H17 126.9 .
N3 C18 C17 109.56(16) .
N3 C18 C19 122.32(16) .
C17 C18 C19 128.05(17) .
C20 C19 C24 118.81(17) .
C20 C19 C18 121.39(16) .
C24 C19 C18 119.69(17) .
C21 C20 C19 120.64(18) .
C21 C20 H20 119.7 .
C19 C20 H20 119.7 .
C22 C21 C20 120.15(19) .
C22 C21 H21 119.9 .
C20 C21 H21 119.9 .
C21 C22 C23 119.72(19) .
C21 C22 H22 120.1 .
C23 C22 H22 120.1 .
C22 C23 C24 120.50(19) .
C22 C23 H23 119.7 .
C24 C23 H23 119.7 .
C23 C24 C19 120.18(18) .
C23 C24 H24 119.9 .
C19 C24 H24 119.9 .
C26 C25 H25A 109.5 .
C26 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C26 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
N6 C26 C27 107.68(16) .
N6 C26 C25 122.78(18) .
C27 C26 C25 129.54(18) .
C26 C27 C28 106.22(16) .
C26 C27 H27 126.9 .
C28 C27 H27 126.9 .
N5 C28 C27 109.98(16) .
N5 C28 C29 123.09(16) .
C27 C28 C29 126.91(17) .
C34 C29 C30 118.87(17) .
C34 C29 C28 121.45(16) .
C30 C29 C28 119.65(16) .
C31 C30 C29 120.50(18) .
C31 C30 H30 119.8 .
C29 C30 H30 119.8 .
C30 C31 C32 120.23(18) .
C30 C31 H31 119.9 .
C32 C31 H31 119.9 .
C31 C32 C33 119.71(18) .
C31 C32 H32 120.1 .
C33 C32 H32 120.1 .
C34 C33 C32 120.15(18) .
C34 C33 H33 119.9 .
C32 C33 H33 119.9 .
C33 C34 C29 120.51(17) .
C33 C34 H34 119.7 .
C29 C34 H34 119.7 .
N2 B1 N4 109.06(15) .
N2 B1 N6 108.39(15) .
N4 B1 N6 108.16(15) .
N2 B1 H1 110.4(11) .
N4 B1 H1 110.7(11) .
N6 B1 H1 110.1(11) .
C8 N1 N2 106.19(14) .
C8 N1 Ni1 138.56(12) .
N2 N1 Ni1 114.93(11) .
C6 N2 N1 109.95(15) .
C6 N2 B1 129.52(15) .
N1 N2 B1 120.13(14) .
C18 N3 N4 106.49(14) .
C18 N3 Ni1 137.18(12) .
N4 N3 Ni1 115.05(11) .
C16 N4 N3 110.18(15) .
C16 N4 B1 130.29(15) .
N3 N4 B1 119.53(14) .
C28 N5 N6 106.08(14) .
C28 N5 Ni1 137.46(12) .
N6 N5 Ni1 113.98(11) .
C26 N6 N5 110.02(15) .
C26 N6 B1 130.43(15) .
N5 N6 B1 119.55(14) .
C1 Si1 C3 111.19(10) .
C1 Si1 C2 109.26(10) .
C3 Si1 C2 106.79(11) .
C1 Si1 C4 114.97(9) .
C3 Si1 C4 106.38(10) .
C2 Si1 C4 107.89(10) .
C1 Ni1 N3 154.29(7) .
C1 Ni1 N1 109.12(7) .
N3 Ni1 N1 88.57(6) .
C1 Ni1 N5 107.48(7) .
N3 Ni1 N5 88.93(6) .
N1 Ni1 N5 94.45(6) .
C35 C35 C36 111.3(6) 2_677
C37 C36 C35 111.7(5) .
C37 C36 H36A 109.3 .
C35 C36 H36A 109.3 .
C37 C36 H36B 109.3 .
C35 C36 H36B 109.3 .
H36A C36 H36B 107.9 .
C35A C36A C37A 113.2(10) .
C35A C36A H36C 108.9 .
C37A C36A H36C 108.9 .
C35A C36A H36D 108.9 .
C37A C36A H36D 108.9 .
H36C C36A H36D 107.8 .
C35A C35A C36A 117.8(11) 2_677
C36A C37A H37D 109.5 .
C36A C37A H37E 109.5 .
H37D C37A H37E 109.5 .
C36A C37A H37F 109.5 .
H37D C37A H37F 109.5 .
H37E C37A H37F 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 Si1 1.8379(19) .
C1 Ni1 1.9995(18) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 Si1 1.882(2) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 Si1 1.874(2) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 Si1 1.883(2) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.495(3) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 N2 1.351(2) .
C6 C7 1.376(3) .
C7 C8 1.394(3) .
C7 H7 0.9500 .
C8 N1 1.343(2) .
C8 C9 1.479(3) .
C9 C14 1.388(3) .
C9 C10 1.389(3) .
C10 C11 1.381(3) .
C10 H10 0.9500 .
C11 C12 1.374(4) .
C11 H11 0.9500 .
C12 C13 1.382(3) .
C12 H12 0.9500 .
C13 C14 1.390(3) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.495(3) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 N4 1.352(2) .
C16 C17 1.377(3) .
C17 C18 1.401(3) .
C17 H17 0.9500 .
C18 N3 1.342(2) .
C18 C19 1.474(3) .
C19 C20 1.392(3) .
C19 C24 1.397(3) .
C20 C21 1.390(3) .
C20 H20 0.9500 .
C21 C22 1.381(3) .
C21 H21 0.9500 .
C22 C23 1.384(3) .
C22 H22 0.9500 .
C23 C24 1.388(3) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.494(3) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 N6 1.356(2) .
C26 C27 1.373(3) .
C27 C28 1.394(3) .
C27 H27 0.9500 .
C28 N5 1.345(2) .
C28 C29 1.475(3) .
C29 C34 1.394(3) .
C29 C30 1.395(3) .
C30 C31 1.384(3) .
C30 H30 0.9500 .
C31 C32 1.387(3) .
C31 H31 0.9500 .
C32 C33 1.387(3) .
C32 H32 0.9500 .
C33 C34 1.386(3) .
C33 H33 0.9500 .
C34 H34 0.9500 .
B1 N2 1.542(3) .
B1 N4 1.543(2) .
B1 N6 1.552(3) .
B1 H1 1.05(2) .
N1 N2 1.376(2) .
N1 Ni1 2.0414(15) .
N3 N4 1.376(2) .
N3 Ni1 2.0404(15) .
N5 N6 1.376(2) .
N5 Ni1 2.0583(15) .
C35 C35 1.526(9) 2_677
C35 C36 1.533(6) .
C37 C36 1.511(11) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C36A C35A 1.502(12) .
C36A C37A 1.50(2) .
C36A H36C 0.9900 .
C36A H36D 0.9900 .
C35A C35A 1.483(17) 2_677
C37A H37D 0.9800 .
C37A H37E 0.9800 .
C37A H37F 0.9800 .
