<i>catena</i>-Poly[1,10-phenanthrolin-1-ium [[dichloridoantimonate(III)]-di-μ-chlorido] methanol solvate]
Jun Zhai; Handong Yin; Feng Li; Daqi Wang; Acta Crystallographica Section E 63 (2007) m2165–m2165; doi:10.1107/S1600536807034344

data_2214849
_publ_section_title
;
 <i>catena</i>-Poly[1,10-phenanthrolin-1-ium
 [[dichloridoantimonate(III)]-di-\m-chlorido] methanol solvate]
;
_journal_coeditor_code           RZ2155
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2165
_journal_page_last               m2165
_journal_paper_doi               10.1107/S1600536807034344
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C12 H9 N2) [Sb Cl4], C H4 O'
_chemical_formula_moiety         'C12 H9 N2 +, Cl4 Sb -, C H4 O'
_chemical_formula_sum            'C13 H13 Cl4 N2 O Sb'
_chemical_formula_weight         476.80
_chemical_name_systematic
;
catena-Poly[1,10-phenanthrolin-1-ium [[dichloridoantimonate(III)]-di-
\m-chlorido] methanol solvate]
;
_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                78.242(3)
_cell_angle_beta                 73.266(2)
_cell_angle_gamma                73.751(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5228(10)
_cell_length_b                   10.0340(14)
_cell_length_c                   12.3933(19)
_cell_measurement_reflns_used    3120
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.8255
_cell_measurement_theta_min      2.5615
_cell_volume                     852.3(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART 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  0.0172
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4451
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.244
_exptl_absorpt_correction_T_max  0.701
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.635
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2947
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0283
_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^)+(0.043P)^2^+0.4963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                2584
_reflns_number_total             2947
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2155.cif
_cod_data_source_block           I
_cod_database_code               2214849
_cod_database_fobs_code          2214849