# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_b
_database_code_depnum_ccdc_archive 'CCDC 1879981'
_audit_update_record             
;
2018-11-20 deposited with the CCDC.
2019-02-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H46 Ni P2 Si4'
_chemical_formula_sum            'C26 H46 Ni P2 Si4'
_chemical_formula_weight         591.64

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'
Si Si 0.0817 0.0704 '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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   'P -4 c 2'
_symmetry_space_group_name_Hall  'P -4 -2c'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, -x, -z+1/2'
'y, x, -z+1/2'
'-x, y, z+1/2'
'x, -y, z+1/2'
'-y, x, -z'
'y, -x, -z'

_cell_length_a                   12.4689(8)
_cell_length_b                   12.4689(8)
_cell_length_c                   20.552(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3195.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3705
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.57

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.40
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.230
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1264
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_process_details   'Bruker SMART'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31285
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         27.57
_reflns_number_total             3705
_reflns_number_gt                3026
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0248P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.226(12)
_refine_ls_number_reflns         3705
_refine_ls_number_parameters     158
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0542
_refine_ls_wR_factor_gt          0.0535
_refine_ls_goodness_of_fit_ref   0.891
_refine_ls_restrained_S_all      0.891
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.19556(17) 0.96407(19) 0.67907(12) 0.0257(6) Uani 1 1 d . . .
H1 H 0.1425 0.9248 0.6532 0.038 Uiso 1 1 calc R . .
H2 H 0.1631 1.0300 0.6959 0.038 Uiso 1 1 calc R . .
H3 H 0.2193 0.9192 0.7155 0.038 Uiso 1 1 calc R . .
C2 C 0.26231(19) 1.07020(18) 0.55216(11) 0.0236(5) Uani 1 1 d . . .
H4 H 0.2302 1.1388 0.5650 0.035 Uiso 1 1 calc R . .
H5 H 0.2081 1.0256 0.5307 0.035 Uiso 1 1 calc R . .
H6 H 0.3219 1.0833 0.5221 0.035 Uiso 1 1 calc R . .
Si1 Si 0.31379(5) 0.99887(5) 0.62660(3) 0.01464(12) Uani 1 1 d . . .
Si2 Si 0.56357(5) 0.89866(4) 0.68562(3) 0.01457(13) Uani 1 1 d . . .
C3 C 0.37588(18) 0.86912(18) 0.59919(9) 0.0160(5) Uani 1 1 d . . .
C4 C 0.31945(19) 0.80770(18) 0.55331(10) 0.0204(5) Uani 1 1 d . . .
H7 H 0.2542 0.8351 0.5363 0.024 Uiso 1 1 calc R . .
C5 C 0.35519(19) 0.70917(18) 0.53207(11) 0.0224(5) Uani 1 1 d . . .
H8 H 0.3157 0.6700 0.5005 0.027 Uiso 1 1 calc R . .
C6 C 0.44931(19) 0.66827(19) 0.55733(11) 0.0228(5) Uani 1 1 d . . .
H9 H 0.4743 0.5998 0.5438 0.027 Uiso 1 1 calc R . .
C7 C 0.5070(2) 0.72686(17) 0.60214(11) 0.0201(5) Uani 1 1 d . . .
H10 H 0.5721 0.6980 0.6186 0.024 Uiso 1 1 calc R . .
C8 C 0.47315(16) 0.82732(17) 0.62423(11) 0.0154(5) Uani 1 1 d . . .
Ni1 Ni 0.5000 1.0000 0.767193(16) 0.01372(8) Uani 1 2 d S . .
P1 P 0.44974(5) 1.11164(5) 0.84123(3) 0.01850(13) Uani 1 1 d . . .
C9 C 0.30728(16) 1.13642(18) 0.85333(11) 0.0239(6) Uani 1 1 d . . .
H12 H 0.2984 1.1853 0.8909 0.029 Uiso 1 1 calc R . .
H13 H 0.2786 1.1734 0.8144 0.029 Uiso 1 1 calc R . .
C10 C 0.24120(18) 1.03559(19) 0.86538(12) 0.0272(6) Uani 1 1 d . . .
H14 H 0.2642 1.0020 0.9062 0.041 Uiso 1 1 calc R . .
H15 H 0.2518 0.9852 0.8293 0.041 Uiso 1 1 calc R . .
H16 H 0.1651 1.0547 0.8684 0.041 Uiso 1 1 calc R . .
C11 C 0.4974(2) 1.06090(17) 0.92071(10) 0.0263(6) Uani 1 1 d . . .
H17 H 0.5695 1.0905 0.9300 0.032 Uiso 1 1 calc R . .
H18 H 0.4481 1.0853 0.9555 0.032 Uiso 1 1 calc R . .
C12 C 0.50388(18) 1.24707(19) 0.83804(12) 0.0260(5) Uani 1 1 d . . .
H19 H 0.4618 1.2899 0.8065 0.031 Uiso 1 1 calc R . .
H20 H 0.4963 1.2810 0.8814 0.031 Uiso 1 1 calc R . .
C13 C 0.62176(19) 1.2486(2) 0.81812(13) 0.0387(7) Uani 1 1 d . . .
H21 H 0.6296 1.2162 0.7749 0.058 Uiso 1 1 calc R . .
H22 H 0.6640 1.2078 0.8498 0.058 Uiso 1 1 calc R . .
H23 H 0.6474 1.3229 0.8169 0.058 Uiso 1 1 calc R . .
H11 H 0.6320(16) 0.8130(15) 0.7043(9) 0.022(6) Uiso 1 1 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
C1 Si1 1.877(2) . ?
C1 H1 0.9800 . ?
C1 H2 0.9800 . ?
C1 H3 0.9800 . ?
C2 Si1 1.882(2) . ?
C2 H4 0.9800 . ?
C2 H5 0.9800 . ?
C2 H6 0.9800 . ?
Si1 C3 1.880(2) . ?
Si1 Si2 2.3329(8) 2_675 ?
Si2 C8 1.912(2) . ?
Si2 Ni1 2.2440(6) . ?
Si2 Si1 2.3329(8) 2_675 ?
Si2 H11 1.420(19) . ?
C3 C4 1.404(3) . ?
C3 C8 1.417(3) . ?
C4 C5 1.378(3) . ?
C4 H7 0.9500 . ?
C5 C6 1.381(3) . ?
C5 H8 0.9500 . ?
C6 C7 1.378(3) . ?
C6 H9 0.9500 . ?
C7 C8 1.398(3) . ?
C7 H10 0.9500 . ?
Ni1 P1 2.1554(6) . ?
Ni1 P1 2.1554(6) 2_675 ?
Ni1 Si2 2.2440(6) 2_675 ?
P1 C12 1.820(2) . ?
P1 C9 1.820(2) . ?
P1 C11 1.850(2) . ?
C9 C10 1.523(3) . ?
C9 H12 0.9900 . ?
C9 H13 0.9900 . ?
C10 H14 0.9800 . ?
C10 H15 0.9800 . ?
C10 H16 0.9800 . ?
C11 C11 1.520(4) 2_675 ?
C11 H17 0.9900 . ?
C11 H18 0.9900 . ?
C12 C13 1.526(3) . ?
C12 H19 0.9900 . ?
C12 H20 0.9900 . ?
C13 H21 0.9800 . ?
C13 H22 0.9800 . ?
C13 H23 0.9800 . ?

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
Si1 C1 H1 109.5 . . ?
Si1 C1 H2 109.5 . . ?
H1 C1 H2 109.5 . . ?
Si1 C1 H3 109.5 . . ?
H1 C1 H3 109.5 . . ?
H2 C1 H3 109.5 . . ?
Si1 C2 H4 109.5 . . ?
Si1 C2 H5 109.5 . . ?
H4 C2 H5 109.5 . . ?
Si1 C2 H6 109.5 . . ?
H4 C2 H6 109.5 . . ?
H5 C2 H6 109.5 . . ?
C1 Si1 C3 107.25(10) . . ?
C1 Si1 C2 107.95(11) . . ?
C3 Si1 C2 107.67(10) . . ?
C1 Si1 Si2 110.04(8) . 2_675 ?
C3 Si1 Si2 110.93(7) . 2_675 ?
C2 Si1 Si2 112.79(8) . 2_675 ?
C8 Si2 Ni1 123.15(7) . . ?
C8 Si2 Si1 107.36(6) . 2_675 ?
Ni1 Si2 Si1 108.15(3) . 2_675 ?
C8 Si2 H11 100.6(8) . . ?
Ni1 Si2 H11 115.7(8) . . ?
Si1 Si2 H11 99.1(8) 2_675 . ?
C4 C3 C8 118.2(2) . . ?
C4 C3 Si1 117.67(18) . . ?
C8 C3 Si1 124.07(15) . . ?
C5 C4 C3 122.5(2) . . ?
C5 C4 H7 118.8 . . ?
C3 C4 H7 118.8 . . ?
C4 C5 C6 119.0(2) . . ?
C4 C5 H8 120.5 . . ?
C6 C5 H8 120.5 . . ?
C7 C6 C5 119.9(2) . . ?
C7 C6 H9 120.0 . . ?
C5 C6 H9 120.0 . . ?
C6 C7 C8 122.3(2) . . ?
C6 C7 H10 118.9 . . ?
C8 C7 H10 118.9 . . ?
C7 C8 C3 118.1(2) . . ?
C7 C8 Si2 116.94(16) . . ?
C3 C8 Si2 124.99(16) . . ?
P1 Ni1 P1 90.19(3) . 2_675 ?
P1 Ni1 Si2 173.61(2) . . ?
P1 Ni1 Si2 93.50(2) 2_675 . ?
P1 Ni1 Si2 93.50(2) . 2_675 ?
P1 Ni1 Si2 173.61(2) 2_675 2_675 ?
Si2 Ni1 Si2 83.32(3) . 2_675 ?
C12 P1 C9 102.09(10) . . ?
C12 P1 C11 103.30(11) . . ?
C9 P1 C11 104.52(11) . . ?
C12 P1 Ni1 117.78(8) . . ?
C9 P1 Ni1 119.33(7) . . ?
C11 P1 Ni1 108.01(7) . . ?
C10 C9 P1 114.20(15) . . ?
C10 C9 H12 108.7 . . ?
P1 C9 H12 108.7 . . ?
C10 C9 H13 108.7 . . ?
P1 C9 H13 108.7 . . ?
H12 C9 H13 107.6 . . ?
C9 C10 H14 109.5 . . ?
C9 C10 H15 109.5 . . ?
H14 C10 H15 109.5 . . ?
C9 C10 H16 109.5 . . ?
H14 C10 H16 109.5 . . ?
H15 C10 H16 109.5 . . ?
C11 C11 P1 110.83(10) 2_675 . ?
C11 C11 H17 109.5 2_675 . ?
P1 C11 H17 109.5 . . ?
C11 C11 H18 109.5 2_675 . ?
P1 C11 H18 109.5 . . ?
H17 C11 H18 108.1 . . ?
C13 C12 P1 112.26(16) . . ?
C13 C12 H19 109.2 . . ?
P1 C12 H19 109.2 . . ?
C13 C12 H20 109.2 . . ?
P1 C12 H20 109.2 . . ?
H19 C12 H20 107.9 . . ?
C12 C13 H21 109.5 . . ?
C12 C13 H22 109.5 . . ?
H21 C13 H22 109.5 . . ?
C12 C13 H23 109.5 . . ?
H21 C13 H23 109.5 . . ?
H22 C13 H23 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.174
_refine_diff_density_rms         0.059
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sad
_database_code_depnum_ccdc_archive 'CCDC 1879984'
_audit_update_record             
;
2018-11-20 deposited with the CCDC.
2019-02-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H61 Ni P3 Si4'
_chemical_formula_sum            'C32 H61 Ni P3 Si4'
_chemical_formula_weight         709.79

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'
Si Si 0.0817 0.0704 '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'

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

_cell_length_a                   11.352(2)
_cell_length_b                   21.355(4)
_cell_length_c                   15.654(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.59(3)
_cell_angle_gamma                90.00
_cell_volume                     3730.2(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8580
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      27.58

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1528
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_process_details   'Bruker SMART'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32974
_diffrn_reflns_av_R_equivalents  0.0953
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         27.58
_reflns_number_total             8580
_reflns_number_gt                6690
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0619P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8580
_refine_ls_number_parameters     380
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1118
_refine_ls_wR_factor_gt          0.1083
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_restrained_S_all      0.956
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.000

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
Ni1 Ni 0.91059(3) 0.147089(13) 0.235908(18) 0.01180(9) Uani 1 1 d . . .
Si1 Si 0.85557(6) 0.13556(3) 0.36727(4) 0.01288(14) Uani 1 1 d . . .
H1 H 0.958(2) 0.1102(13) 0.4344(17) 0.028(8) Uiso 1 1 d . . .
C1 C 0.8161(2) 0.20855(10) 0.42650(14) 0.0133(5) Uani 1 1 d . . .
C2 C 0.8866(2) 0.22263(11) 0.50768(15) 0.0181(5) Uani 1 1 d . . .
H2 H 0.9475 0.1952 0.5313 0.022 Uiso 1 1 calc R . .
C3 C 0.8686(2) 0.27577(12) 0.55352(15) 0.0206(5) Uani 1 1 d . . .
H3 H 0.9170 0.2836 0.6071 0.025 Uiso 1 1 calc R . .
C4 C 0.7782(2) 0.31765(12) 0.51966(16) 0.0215(5) Uani 1 1 d . . .
H4 H 0.7668 0.3541 0.5496 0.026 Uiso 1 1 calc R . .
C5 C 0.7056(2) 0.30420(11) 0.44075(16) 0.0186(5) Uani 1 1 d . . .
H5 H 0.6438 0.3316 0.4188 0.022 Uiso 1 1 calc R . .
C6 C 0.7223(2) 0.25039(11) 0.39274(15) 0.0153(5) Uani 1 1 d . . .
Si2 Si 0.61795(6) 0.23471(3) 0.28707(4) 0.01385(14) Uani 1 1 d . . .
C7 C 0.5771(2) 0.31194(11) 0.22977(17) 0.0219(5) Uani 1 1 d . . .
H6 H 0.5918 0.3455 0.2712 0.033 Uiso 1 1 calc R . .
H7 H 0.4939 0.3116 0.2032 0.033 Uiso 1 1 calc R . .
H8 H 0.6250 0.3179 0.1859 0.033 Uiso 1 1 calc R . .
C8 C 0.4732(2) 0.20417(12) 0.31380(16) 0.0207(5) Uani 1 1 d . . .
H9 H 0.4866 0.1637 0.3407 0.031 Uiso 1 1 calc R . .
H10 H 0.4145 0.2006 0.2614 0.031 Uiso 1 1 calc R . .
H11 H 0.4447 0.2326 0.3530 0.031 Uiso 1 1 calc R . .
Si3 Si 0.70789(6) 0.16006(3) 0.20672(4) 0.01265(14) Uani 1 1 d . . .
H12 H 0.668(2) 0.1827(12) 0.1205(17) 0.027(7) Uiso 1 1 d . . .
Si4 Si 0.71164(6) 0.05935(3) 0.38197(4) 0.01533(15) Uani 1 1 d . . .
C9 C 0.6014(2) 0.09037(11) 0.20524(15) 0.0148(5) Uani 1 1 d . . .
C10 C 0.5184(2) 0.07826(12) 0.12882(16) 0.0195(5) Uani 1 1 d . . .
H13 H 0.5189 0.1034 0.0804 0.023 Uiso 1 1 calc R . .
C11 C 0.4357(2) 0.02986(12) 0.12339(18) 0.0243(6) Uani 1 1 d . . .
H14 H 0.3822 0.0227 0.0718 0.029 Uiso 1 1 calc R . .
C12 C 0.4332(2) -0.00762(12) 0.19482(18) 0.0243(6) Uani 1 1 d . . .
H15 H 0.3777 -0.0400 0.1917 0.029 Uiso 1 1 calc R . .
C13 C 0.5134(2) 0.00321(11) 0.27096(17) 0.0207(5) Uani 1 1 d . . .
H16 H 0.5107 -0.0220 0.3190 0.025 Uiso 1 1 calc R . .
C14 C 0.5987(2) 0.05109(11) 0.27775(15) 0.0151(5) Uani 1 1 d . . .
C15 C 0.7799(2) -0.02075(11) 0.40398(17) 0.0233(6) Uani 1 1 d . . .
H17 H 0.8451 -0.0186 0.4526 0.035 Uiso 1 1 calc R . .
H18 H 0.8091 -0.0352 0.3536 0.035 Uiso 1 1 calc R . .
H19 H 0.7203 -0.0493 0.4170 0.035 Uiso 1 1 calc R . .
C16 C 0.6349(2) 0.07795(12) 0.47585(16) 0.0213(5) Uani 1 1 d . . .
H20 H 0.5997 0.1189 0.4680 0.032 Uiso 1 1 calc R . .
H21 H 0.6925 0.0769 0.5291 0.032 Uiso 1 1 calc R . .
H22 H 0.5734 0.0475 0.4784 0.032 Uiso 1 1 calc R . .
C17 C 1.1440(2) 0.08199(11) 0.18619(15) 0.0184(5) Uani 1 1 d . . .
H23 H 1.1831 0.1207 0.1751 0.022 Uiso 1 1 calc R . .
H24 H 1.2044 0.0494 0.1977 0.022 Uiso 1 1 calc R . .
C18 C 1.0503(2) 0.06435(11) 0.10676(16) 0.0199(5) Uani 1 1 d . . .
H25 H 1.0375 0.0194 0.1061 0.024 Uiso 1 1 calc R . .
H26 H 1.0795 0.0756 0.0543 0.024 Uiso 1 1 calc R . .
C19 C 1.1931(2) 0.12208(11) 0.36455(16) 0.0181(5) Uani 1 1 d . . .
H27 H 1.2202 0.1613 0.3435 0.022 Uiso 1 1 calc R . .
H28 H 1.1600 0.1317 0.4159 0.022 Uiso 1 1 calc R . .
C20 C 1.3024(2) 0.08050(12) 0.39217(17) 0.0217(5) Uani 1 1 d . . .
H29 H 1.2778 0.0412 0.4130 0.033 Uiso 1 1 calc R . .
H30 H 1.3575 0.1008 0.4376 0.033 Uiso 1 1 calc R . .
H31 H 1.3408 0.0733 0.3433 0.033 Uiso 1 1 calc R . .
C21 C 1.0500(2) 0.01103(11) 0.31862(16) 0.0188(5) Uani 1 1 d . . .
H32 H 1.0584 0.0123 0.3814 0.023 Uiso 1 1 calc R . .
H33 H 0.9679 -0.0010 0.2956 0.023 Uiso 1 1 calc R . .
C22 C 1.1313(2) -0.04100(12) 0.29625(18) 0.0244(6) Uani 1 1 d . . .
H34 H 1.1185 -0.0464 0.2343 0.037 Uiso 1 1 calc R . .
H35 H 1.1131 -0.0794 0.3230 0.037 Uiso 1 1 calc R . .
H36 H 1.2135 -0.0299 0.3173 0.037 Uiso 1 1 calc R . .
P1 P 1.07113(6) 0.09167(3) 0.28112(4) 0.01470(14) Uani 1 1 d . . .
P2 P 0.90494(6) 0.10530(3) 0.10794(4) 0.01474(14) Uani 1 1 d . . .
C23 C 0.7934(3) -0.01162(11) 0.12936(17) 0.0247(6) Uani 1 1 d . . .
H37 H 0.8690 -0.0330 0.1393 0.037 Uiso 1 1 calc R . .
H38 H 0.7310 -0.0403 0.1049 0.037 Uiso 1 1 calc R . .
H39 H 0.7776 0.0043 0.1835 0.037 Uiso 1 1 calc R . .
C24 C 0.7974(2) 0.04261(11) 0.06640(16) 0.0186(5) Uani 1 1 d . . .
H40 H 0.7180 0.0608 0.0518 0.022 Uiso 1 1 calc R . .
H41 H 0.8178 0.0261 0.0132 0.022 Uiso 1 1 calc R . .
C25 C 0.8881(2) 0.15693(11) 0.01240(15) 0.0193(5) Uani 1 1 d . . .
H42 H 0.8162 0.1817 0.0111 0.023 Uiso 1 1 calc R . .
H43 H 0.9553 0.1857 0.0209 0.023 Uiso 1 1 calc R . .
C26 C 0.8804(3) 0.12634(13) -0.07711(16) 0.0240(6) Uani 1 1 d . . .
H44 H 0.9468 0.0983 -0.0758 0.036 Uiso 1 1 calc R . .
H45 H 0.8828 0.1582 -0.1200 0.036 Uiso 1 1 calc R . .
H46 H 0.8067 0.1034 -0.0915 0.036 Uiso 1 1 calc R . .
P3 P 0.98893(6) 0.24478(3) 0.24171(4) 0.01782(15) Uani 1 1 d U . .
C27 C 1.1133(2) 0.25837(11) 0.18258(16) 0.0196(5) Uani 1 1 d . . .
H47 H 1.1775 0.2297 0.2057 0.024 Uiso 1 1 calc R . .
H48 H 1.0853 0.2470 0.1223 0.024 Uiso 1 1 calc R . .
C28 C 1.1671(3) 0.32456(12) 0.18431(18) 0.0270(6) Uani 1 1 d . . .
H49 H 1.1086 0.3528 0.1534 0.040 Uiso 1 1 calc R . .
H50 H 1.2364 0.3239 0.1572 0.040 Uiso 1 1 calc R . .
H51 H 1.1899 0.3383 0.2434 0.040 Uiso 1 1 calc R . .
C29 C 1.0672(3) 0.26833(13) 0.35490(17) 0.0269(6) Uani 1 1 d U . .
H52 H 1.0537 0.2355 0.3948 0.032 Uiso 1 1 calc R . .
H53 H 1.1527 0.2696 0.3551 0.032 Uiso 1 1 calc R . .
C30 C 1.0318(3) 0.32998(14) 0.39058(19) 0.0363(7) Uani 1 1 d . . .
H54 H 1.0532 0.3638 0.3559 0.054 Uiso 1 1 calc R . .
H55 H 1.0730 0.3348 0.4495 0.054 Uiso 1 1 calc R . .
H56 H 0.9469 0.3305 0.3889 0.054 Uiso 1 1 calc R . .
C31 C 0.8906(3) 0.31108(12) 0.20511(19) 0.0281(6) Uani 1 1 d . . .
H57 H 0.8275 0.3127 0.2393 0.034 Uiso 1 1 calc R . .
H58 H 0.9364 0.3495 0.2154 0.034 Uiso 1 1 calc R . .
C32 C 0.8343(3) 0.30727(13) 0.1096(2) 0.0344(7) Uani 1 1 d . . .
H59 H 0.8961 0.3079 0.0752 0.052 Uiso 1 1 calc R . .
H60 H 0.7818 0.3424 0.0943 0.052 Uiso 1 1 calc R . .
H61 H 0.7893 0.2691 0.0988 0.052 Uiso 1 1 calc R . .


_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
Ni1 P1 2.1792(8) . ?
Ni1 P2 2.1832(7) . ?
Ni1 P3 2.2630(8) . ?
Ni1 Si1 2.2697(8) . ?
Ni1 Si3 2.2789(9) . ?
Si1 C1 1.908(2) . ?
Si1 Si4 2.3472(10) . ?
Si1 Si3 2.8022(12) . ?
Si1 H1 1.52(3) . ?
C1 C2 1.404(3) . ?
C1 C6 1.416(3) . ?
C2 C3 1.378(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.405(3) . ?
C5 H5 0.9300 . ?
C6 Si2 1.879(3) . ?
Si2 C8 1.885(3) . ?
Si2 C7 1.894(2) . ?
Si2 Si3 2.3744(10) . ?
C7 H6 0.9600 . ?
C7 H7 0.9600 . ?
C7 H8 0.9600 . ?
C8 H9 0.9600 . ?
C8 H10 0.9600 . ?
C8 H11 0.9600 . ?
Si3 C9 1.915(2) . ?
Si3 H12 1.43(3) . ?
Si4 C15 1.883(3) . ?
Si4 C16 1.883(3) . ?
Si4 C14 1.889(3) . ?
C9 C10 1.404(3) . ?
C9 C14 1.416(3) . ?
C10 C11 1.388(4) . ?
C10 H13 0.9300 . ?
C11 C12 1.380(4) . ?
C11 H14 0.9300 . ?
C12 C13 1.380(4) . ?
C12 H15 0.9300 . ?
C13 C14 1.399(3) . ?
C13 H16 0.9300 . ?
C15 H17 0.9600 . ?
C15 H18 0.9600 . ?
C15 H19 0.9600 . ?
C16 H20 0.9600 . ?
C16 H21 0.9600 . ?
C16 H22 0.9600 . ?
C17 C18 1.528(3) . ?
C17 P1 1.840(2) . ?
C17 H23 0.9700 . ?
C17 H24 0.9700 . ?
C18 P2 1.870(3) . ?
C18 H25 0.9700 . ?
C18 H26 0.9700 . ?
C19 C20 1.522(3) . ?
C19 P1 1.839(2) . ?
C19 H27 0.9700 . ?
C19 H28 0.9700 . ?
C20 H29 0.9600 . ?
C20 H30 0.9600 . ?
C20 H31 0.9600 . ?
C21 C22 1.526(3) . ?
C21 P1 1.849(2) . ?
C21 H32 0.9700 . ?
C21 H33 0.9700 . ?
C22 H34 0.9600 . ?
C22 H35 0.9600 . ?
C22 H36 0.9600 . ?
P2 C25 1.839(2) . ?
P2 C24 1.847(2) . ?
C23 C24 1.527(3) . ?
C23 H37 0.9600 . ?
C23 H38 0.9600 . ?
C23 H39 0.9600 . ?
C24 H40 0.9700 . ?
C24 H41 0.9700 . ?
C25 C26 1.534(3) . ?
C25 H42 0.9700 . ?
C25 H43 0.9700 . ?
C26 H44 0.9600 . ?
C26 H45 0.9600 . ?
C26 H46 0.9600 . ?
P3 C31 1.829(3) . ?
P3 C27 1.848(3) . ?
P3 C29 1.898(3) . ?
C27 C28 1.538(3) . ?
C27 H47 0.9700 . ?
C27 H48 0.9700 . ?
C28 H49 0.9600 . ?
C28 H50 0.9600 . ?
C28 H51 0.9600 . ?
C29 C30 1.513(4) . ?
C29 H52 0.9700 . ?
C29 H53 0.9700 . ?
C30 H54 0.9600 . ?
C30 H55 0.9600 . ?
C30 H56 0.9600 . ?
C31 C32 1.516(4) . ?
C31 H57 0.9700 . ?
C31 H58 0.9700 . ?
C32 H59 0.9600 . ?
C32 H60 0.9600 . ?
C32 H61 0.9600 . ?

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
P1 Ni1 P2 87.58(3) . . ?
P1 Ni1 P3 100.87(3) . . ?
P2 Ni1 P3 111.02(3) . . ?
P1 Ni1 Si1 89.99(3) . . ?
P2 Ni1 Si1 145.13(3) . . ?
P3 Ni1 Si1 103.60(3) . . ?
P1 Ni1 Si3 152.18(3) . . ?
P2 Ni1 Si3 90.43(4) . . ?
P3 Ni1 Si3 105.71(3) . . ?
Si1 Ni1 Si3 76.06(4) . . ?
C1 Si1 Ni1 118.67(7) . . ?
C1 Si1 Si4 106.80(8) . . ?
Ni1 Si1 Si4 118.45(4) . . ?
C1 Si1 Si3 97.36(7) . . ?
Ni1 Si1 Si3 52.12(2) . . ?
Si4 Si1 Si3 84.54(3) . . ?
C1 Si1 H1 100.0(10) . . ?
Ni1 Si1 H1 111.3(10) . . ?
Si4 Si1 H1 98.2(10) . . ?
Si3 Si1 H1 160.8(10) . . ?
C2 C1 C6 117.8(2) . . ?
C2 C1 Si1 117.97(18) . . ?
C6 C1 Si1 124.17(17) . . ?
C3 C2 C1 122.2(2) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 120.0(2) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 118.9(2) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 122.1(2) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 118.9(2) . . ?
C5 C6 Si2 119.43(18) . . ?
C1 C6 Si2 121.69(17) . . ?
C6 Si2 C8 107.49(11) . . ?
C6 Si2 C7 108.75(11) . . ?
C8 Si2 C7 105.02(12) . . ?
C6 Si2 Si3 108.85(8) . . ?
C8 Si2 Si3 111.26(8) . . ?
C7 Si2 Si3 115.17(9) . . ?
Si2 C7 H6 109.5 . . ?
Si2 C7 H7 109.5 . . ?
H6 C7 H7 109.5 . . ?
Si2 C7 H8 109.5 . . ?
H6 C7 H8 109.5 . . ?
H7 C7 H8 109.5 . . ?
Si2 C8 H9 109.5 . . ?
Si2 C8 H10 109.5 . . ?
H9 C8 H10 109.5 . . ?
Si2 C8 H11 109.5 . . ?
H9 C8 H11 109.5 . . ?
H10 C8 H11 109.5 . . ?
C9 Si3 Ni1 121.33(8) . . ?
C9 Si3 Si2 101.31(8) . . ?
Ni1 Si3 Si2 119.47(4) . . ?
C9 Si3 Si1 97.94(8) . . ?
Ni1 Si3 Si1 51.82(3) . . ?
Si2 Si3 Si1 83.96(3) . . ?
C9 Si3 H12 99.3(11) . . ?
Ni1 Si3 H12 111.3(11) . . ?
Si2 Si3 H12 100.4(11) . . ?
Si1 Si3 H12 160.9(11) . . ?
C15 Si4 C16 106.41(11) . . ?
C15 Si4 C14 105.33(11) . . ?
C16 Si4 C14 110.85(11) . . ?
C15 Si4 Si1 112.16(9) . . ?
C16 Si4 Si1 111.12(9) . . ?
C14 Si4 Si1 110.75(8) . . ?
C10 C9 C14 117.7(2) . . ?
C10 C9 Si3 118.46(18) . . ?
C14 C9 Si3 123.84(18) . . ?
C11 C10 C9 122.0(2) . . ?
C11 C10 H13 119.0 . . ?
C9 C10 H13 119.0 . . ?
C12 C11 C10 119.8(2) . . ?
C12 C11 H14 120.1 . . ?
C10 C11 H14 120.1 . . ?
C11 C12 C13 119.6(2) . . ?
C11 C12 H15 120.2 . . ?
C13 C12 H15 120.2 . . ?
C12 C13 C14 121.7(2) . . ?
C12 C13 H16 119.1 . . ?
C14 C13 H16 119.1 . . ?
C13 C14 C9 119.2(2) . . ?
C13 C14 Si4 118.97(18) . . ?
C9 C14 Si4 121.74(17) . . ?
Si4 C15 H17 109.5 . . ?
Si4 C15 H18 109.5 . . ?
H17 C15 H18 109.5 . . ?
Si4 C15 H19 109.5 . . ?
H17 C15 H19 109.5 . . ?
H18 C15 H19 109.5 . . ?
Si4 C16 H20 109.5 . . ?
Si4 C16 H21 109.5 . . ?
H20 C16 H21 109.5 . . ?
Si4 C16 H22 109.5 . . ?
H20 C16 H22 109.5 . . ?
H21 C16 H22 109.5 . . ?
C18 C17 P1 109.61(17) . . ?
C18 C17 H23 109.7 . . ?
P1 C17 H23 109.7 . . ?
C18 C17 H24 109.7 . . ?
P1 C17 H24 109.7 . . ?
H23 C17 H24 108.2 . . ?
C17 C18 P2 111.13(16) . . ?
C17 C18 H25 109.4 . . ?
P2 C18 H25 109.4 . . ?
C17 C18 H26 109.4 . . ?
P2 C18 H26 109.4 . . ?
H25 C18 H26 108.0 . . ?
C20 C19 P1 117.63(18) . . ?
C20 C19 H27 107.9 . . ?
P1 C19 H27 107.9 . . ?
C20 C19 H28 107.9 . . ?
P1 C19 H28 107.9 . . ?
H27 C19 H28 107.2 . . ?
C19 C20 H29 109.5 . . ?
C19 C20 H30 109.5 . . ?
H29 C20 H30 109.5 . . ?
C19 C20 H31 109.5 . . ?
H29 C20 H31 109.5 . . ?
H30 C20 H31 109.5 . . ?
C22 C21 P1 119.06(19) . . ?
C22 C21 H32 107.6 . . ?
P1 C21 H32 107.6 . . ?
C22 C21 H33 107.6 . . ?
P1 C21 H33 107.6 . . ?
H32 C21 H33 107.0 . . ?
C21 C22 H34 109.5 . . ?
C21 C22 H35 109.5 . . ?
H34 C22 H35 109.5 . . ?
C21 C22 H36 109.5 . . ?
H34 C22 H36 109.5 . . ?
H35 C22 H36 109.5 . . ?
C19 P1 C17 102.80(12) . . ?
C19 P1 C21 103.20(11) . . ?
C17 P1 C21 104.81(11) . . ?
C19 P1 Ni1 120.97(8) . . ?
C17 P1 Ni1 105.78(8) . . ?
C21 P1 Ni1 117.33(9) . . ?
C25 P2 C24 100.66(12) . . ?
C25 P2 C18 103.44(12) . . ?
C24 P2 C18 100.64(11) . . ?
C25 P2 Ni1 118.82(8) . . ?
C24 P2 Ni1 121.69(8) . . ?
C18 P2 Ni1 108.84(8) . . ?
C24 C23 H37 109.5 . . ?
C24 C23 H38 109.5 . . ?
H37 C23 H38 109.5 . . ?
C24 C23 H39 109.5 . . ?
H37 C23 H39 109.5 . . ?
H38 C23 H39 109.5 . . ?
C23 C24 P2 114.75(18) . . ?
C23 C24 H40 108.6 . . ?
P2 C24 H40 108.6 . . ?
C23 C24 H41 108.6 . . ?
P2 C24 H41 108.6 . . ?
H40 C24 H41 107.6 . . ?
C26 C25 P2 117.86(18) . . ?
C26 C25 H42 107.8 . . ?
P2 C25 H42 107.8 . . ?
C26 C25 H43 107.8 . . ?
P2 C25 H43 107.8 . . ?
H42 C25 H43 107.2 . . ?
C25 C26 H44 109.5 . . ?
C25 C26 H45 109.5 . . ?
H44 C26 H45 109.5 . . ?
C25 C26 H46 109.5 . . ?
H44 C26 H46 109.5 . . ?
H45 C26 H46 109.5 . . ?
C31 P3 C27 101.54(12) . . ?
C31 P3 C29 103.97(13) . . ?
C27 P3 C29 98.99(12) . . ?
C31 P3 Ni1 119.23(10) . . ?
C27 P3 Ni1 117.09(8) . . ?
C29 P3 Ni1 113.25(9) . . ?
C28 C27 P3 118.22(18) . . ?
C28 C27 H47 107.8 . . ?
P3 C27 H47 107.8 . . ?
C28 C27 H48 107.8 . . ?
P3 C27 H48 107.8 . . ?
H47 C27 H48 107.1 . . ?
C27 C28 H49 109.5 . . ?
C27 C28 H50 109.5 . . ?
H49 C28 H50 109.5 . . ?
C27 C28 H51 109.5 . . ?
H49 C28 H51 109.5 . . ?
H50 C28 H51 109.5 . . ?
C30 C29 P3 117.7(2) . . ?
C30 C29 H52 107.9 . . ?
P3 C29 H52 107.9 . . ?
C30 C29 H53 107.9 . . ?
P3 C29 H53 107.9 . . ?
H52 C29 H53 107.2 . . ?
C29 C30 H54 109.5 . . ?
C29 C30 H55 109.5 . . ?
H54 C30 H55 109.5 . . ?
C29 C30 H56 109.5 . . ?
H54 C30 H56 109.5 . . ?
H55 C30 H56 109.5 . . ?
C32 C31 P3 112.94(19) . . ?
C32 C31 H57 109.0 . . ?
P3 C31 H57 109.0 . . ?
C32 C31 H58 109.0 . . ?
P3 C31 H58 109.0 . . ?
H57 C31 H58 107.8 . . ?
C31 C32 H59 109.5 . . ?
C31 C32 H60 109.5 . . ?
H59 C32 H60 109.5 . . ?
C31 C32 H61 109.5 . . ?
H59 C32 H61 109.5 . . ?
H60 C32 H61 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.58
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.104
