Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity
Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar; Organometallics 31 (2012) 6697–; doi:10.1021/om300758s

data_4079471
_publ_section_title
;
 Organobismuth(III) and Dibismuthine Complexes Bearing
 N,N&#x2032;-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis,
 Structure, and Reactivity
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              6697
_journal_paper_doi               10.1021/om300758s
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C26 H39 Bi N2 Si2'
_chemical_formula_weight         644.75
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.3930(10)
_cell_angle_beta                 101.6330(10)
_cell_angle_gamma                95.5090(10)
_cell_formula_units_Z            4
_cell_length_a                   10.2537(4)
_cell_length_b                   16.7284(6)
_cell_length_c                   17.4001(6)
_cell_measurement_reflns_used    9749
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.683
_cell_measurement_theta_min      2.470
_cell_volume                     2714.21(17)
_computing_cell_refinement       'SAINT V7.46A'
_computing_data_collection       'APEX2 v2.2-0'
_computing_data_reduction        'SAINT V7.46A'
_computing_molecular_graphics    'XP in SHELXTL v6.10'
_computing_publication_material  'XP in SHELXTL v6.10'
_computing_structure_refinement  'SHELXL in SHELXTL v6.10'
_computing_structure_solution    'SHELXS in SHELXTL v6.10'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0116
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66490
_diffrn_reflns_theta_full        26.70
_diffrn_reflns_theta_max         26.70
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    6.600
_exptl_absorpt_correction_T_max  0.4299
_exptl_absorpt_correction_T_min  0.3176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/2 (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.197
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         11446
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0152
_refine_ls_R_factor_gt           0.0139
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0209P)^2^+1.7528P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0364
_refine_ls_wR_factor_ref         0.0368
_reflns_number_gt                10852
_reflns_number_total             11446
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300758s_si_002.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4079471