Group 1 Complexes of an (Amido-amino)silane and Their Use in the Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar = 2,6-i-Pr2C6H3)
Schwamm, Ryan J.; Coles, Martyn P.; Fitchett, Christopher M.; Organometallics 34 (2015) 2500–; doi:10.1021/om5012227

data_4085428
_publ_section_title
;
 Group 1 Complexes of an (Amido-amino)silane and Their Use in the
 Synthesis of the Bi(III) Amide, Bi(Me2Si{NAr}{N(H)Ar})Cl2(Ar =
 2,6-i-Pr2C6H3)
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2500
_journal_paper_doi               10.1021/om5012227
_journal_volume                  34
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '2(C52 H82 Li2 N4 Si2), C7 H8'
_chemical_formula_sum            'C111 H172 Li4 N8 Si4'
_chemical_formula_weight         1758.69
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2010-02-11T12:01:05-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                105.704(1)
_cell_angle_beta                 93.758(1)
_cell_angle_gamma                116.307(1)
_cell_formula_units_Z            1
_cell_length_a                   12.2412(3)
_cell_length_b                   13.0740(3)
_cell_length_c                   20.0829(5)
_cell_measurement_reflns_used    23641
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.733
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     2708.84(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.753453E-1
_diffrn_orient_matrix_UB_12      0.522303E-1
_diffrn_orient_matrix_UB_13      0.395519E-1
_diffrn_orient_matrix_UB_21      0.165511E-1
_diffrn_orient_matrix_UB_22      -0.698741E-1
_diffrn_orient_matrix_UB_23      -0.55323E-2
_diffrn_orient_matrix_UB_31      0.524979E-1
_diffrn_orient_matrix_UB_32      0.243015E-1
_diffrn_orient_matrix_UB_33      -0.347857E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0751
_diffrn_reflns_av_unetI/netI     0.068
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            43926
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         3.4
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.078
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rhombohedral
_exptl_crystal_F_000             962
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.875
_refine_diff_density_min         -0.477
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.98
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         11474
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.061
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0686P)^2^+2.2954P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1404
_refine_ls_wR_factor_ref         0.1585
_reflns_number_gt                7997
_reflns_number_total             11474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5012227_si_002.cif
_cod_data_source_block           Compound2-feb410
_cod_depositor_comments
'Adding full bibliography for 4085428--4085431.cif.'
_cod_original_cell_volume        2708.83(11)
_cod_database_code               4085428