μ-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))
Soran, Albert P.; Nema, Mihai G.; Breunig, Hans J.; Silvestru, Cristian; Acta Crystallographica Section E 67 (2011) m153–m154; doi:10.1107/S160053681005453X

data_2229199
_publ_section_title
;
 \m-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))
;
_journal_coeditor_code           RK2252
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m153
_journal_page_last               m154
_journal_paper_doi               10.1107/S160053681005453X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Bi2 (C11 H16 N1)4 (C O3)]'
_chemical_formula_moiety         'C45 H64 Bi2 N4 O3'
_chemical_formula_sum            'C45 H64 Bi2 N4 O3'
_chemical_formula_weight         1126.96
_chemical_melting_point          393
_chemical_name_systematic
;
\m-Carbonato-bis(bis{2-[(diethylamino)methyl]phenyl}bismuth(III))
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.263(3)
_cell_length_b                   12.785(2)
_cell_length_c                   15.286(2)
_cell_measurement_reflns_used    37
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.945
_cell_measurement_theta_min      4.937
_cell_volume                     2304.4(7)
_computing_cell_refinement       '<i>XSCANS</i> (Siemens, 1994)'
_computing_data_collection       '<i>XSCANS</i> (Siemens, 1994)'
_computing_data_reduction        '<i>XSCANS</i> (Siemens, 1994)'
_computing_molecular_graphics    '<i>DIAMOND</i> (Brandenburg, 2006)'
_computing_publication_material
;
<i>enCIFer</i> (Allen <i>et al.</i>, 2004) and <i>publCIF</i> (Westrip,
2010)
;
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9290
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.48
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.666
_exptl_absorpt_correction_T_max  0.5260
_exptl_absorpt_correction_T_min  0.0760
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   '(Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.831
_refine_diff_density_min         -2.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         4065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0659P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0992
_refine_ls_wR_factor_ref         0.1041
_reflns_number_gt                3351
_reflns_number_total             4065
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2252.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2229199
_cod_database_fobs_code          2229199