Chloridobis{2-[(dimethylamino)methyl]phenyl}antimony(III)
Olaru, Marian; Roşca, Sorin; Raţ, Ciprian I.; Silvestru, Cristian; Acta Crystallographica Section E 65 (2009) m1383–m1384; doi:10.1107/S1600536809041890

data_2223976
_publ_section_title
;
 Chloridobis{2-[(dimethylamino)methyl]phenyl}antimony(III)
;
_journal_coeditor_code           PV2214
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1383
_journal_page_last               m1384
_journal_paper_doi               10.1107/S1600536809041890
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sb (C9 H12 N)2 Cl]'
_chemical_formula_moiety         'C18 H24 Cl1 N2 Sb'
_chemical_formula_sum            'C18 H24 Cl N2 Sb'
_chemical_formula_weight         425.60
_chemical_name_systematic
;
Chloridobis{2-[(dimethylamino)methyl]phenyl}antimony(III)
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                98.073(13)
_cell_angle_beta                 103.611(13)
_cell_angle_gamma                116.819(12)
_cell_formula_units_Z            2
_cell_length_a                   9.289(7)
_cell_length_b                   9.367(7)
_cell_length_c                   12.888(10)
_cell_measurement_reflns_used    3906
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      2.5
_cell_volume                     932.5(12)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 1999)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.027
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10065
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.4
_diffrn_reflns_theta_min         2.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.62
_exptl_absorpt_correction_T_max  0.669
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3801
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+0.2481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.078
_reflns_number_gt                3530
_reflns_number_total             3801
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            pv2214.cif
_cod_data_source_block           I
_cod_original_cell_volume        932.6(13)
_cod_database_code               2223976
_cod_database_fobs_code          2223976