Lewis Acid/Base Reactions of the Bis(amidinato)silylene [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si with ElPh3(El = B, Al)
Mück, Felix M.; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian; Tacke, Reinhold; Organometallics 35 (2016) 2583–; doi:10.1021/acs.organomet.6b00204

data_4088579
_publ_section_title
;
 Lewis Acid/Base Reactions of the Bis(amidinato)silylene
 [iPrNC(Ph)NiPr]2Si and Bis(guanidinato)silylene [iPrNC(NiPr2)NiPr]2Si
 with ElPh3(El = B, Al)
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              2583
_journal_paper_doi               10.1021/acs.organomet.6b00204
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C44 H71 B N6 Si, 0.5 C7 H8'
_chemical_formula_sum            'C47.5 H75 B N6 Si'
_chemical_formula_weight         769.03
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 98.408(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.762(5)
_cell_length_b                   20.006(9)
_cell_length_c                   22.148(10)
_cell_measurement_reflns_used    9712
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      2.24
_cell_volume                     4717(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP & POV-Ray'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            64867
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.021
_diffrn_reflns_theta_min         1.378
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6107
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_description       block
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.115
_refine_diff_density_max         0.533
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         9290
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0630P)^2^+1.3374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1251
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7755
_reflns_number_total             9290
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om6b00204_si_002.cif
_cod_data_source_block           MUE64D
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C47.50 H75 B N6 Si'
_cod_database_code               4088579
_shelx_estimated_absorpt_t_min   0.988
_shelx_estimated_absorpt_t_max   0.990
_shelxl_version_number           2013-4
_shelx_res_checksum              65615
_shelx_hkl_checksum              1433