Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.
Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor; Dalton transactions (Cambridge, England : 2003) 44 (2015) 395–400; doi:10.1039/c4dt02692f

data_7032944
_publ_section_title
;
 Antimony(III) and bismuth(III) amides containing pendant N-donor
 groups--a combined experimental and theoretical study.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              395
_journal_page_last               400
_journal_paper_doi               10.1039/c4dt02692f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C14 H22 Bi Cl2 N3'
_chemical_formula_sum            'C14 H22 Bi Cl2 N3'
_chemical_formula_weight         512.23
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_alpha                90
_cell_angle_beta                 132.669(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   20.6791(14)
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_cell_measurement_temperature    150(1)
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_cell_measurement_theta_min      1
_cell_volume                     1607.3(2)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
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_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_av_R_equivalents  0.0690
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
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;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3650
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_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0445P)^2^+9.9607P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02692f1.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7032942--7032945.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7032944