Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate
Soury, Raoudha; Belkhiria, Mohamed Sahah; Nasri, Habib; Parvez, Masood; Acta Crystallographica Section E 68 (2012) m717–m718; doi:10.1107/S1600536812018351

data_2235002
_publ_section_title
;
 Dichlorido(5,10,15,20-tetraphenylporphyrinato-\k^4^<i>N</i>)antimony(V)
 hemi{di-\m-chlorido-bis[trichloridoantimonate(III)]} dichloromethane
 monosolvate
;
_journal_coeditor_code           GK2479
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m717
_journal_page_last               m718
_journal_paper_doi               10.1107/S1600536812018351
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Sb (C44 H28 N4) Cl2] [Sb2 Cl8]0.5, C H2 Cl2'
_chemical_formula_moiety         'C44 H28 Cl2 N4 Sb +, Cl4 Sb -, C H2 Cl2'
_chemical_formula_sum            'C45 H30 Cl8 N4 Sb2'
_chemical_formula_weight         1153.83
_chemical_name_systematic
;
Dichlorido(5,10,15,20-tetraphenylporphyrinato-\k^4^<i>N</i>)antimony(V)
hemi{di-\m-chlorido-bis[trichloridoantimonate(III)]} dichloromethane
monosolvate
;
_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
_cell_angle_alpha                68.3485(10)
_cell_angle_beta                 78.4895(13)
_cell_angle_gamma                89.8390(12)
_cell_formula_units_Z            2
_cell_length_a                   11.4488(2)
_cell_length_b                   13.3868(3)
_cell_length_c                   15.9828(3)
_cell_measurement_reflns_used    12653
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.03
_cell_measurement_theta_min      1.00
_cell_volume                     2224.20(8)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w and \f scans'
_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  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23249
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         2.36
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.734
_exptl_absorpt_correction_T_max  0.8322
_exptl_absorpt_correction_T_min  0.7689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SORTAV</i>; Blessing, 1997)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.359
_refine_diff_density_min         -0.878
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     539
_refine_ls_number_reflns         12918
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0155P)^2^+10.1800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                10260
_reflns_number_total             12918
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2479.cif
_cod_data_source_block           I
_cod_database_code               2235002
_cod_database_fobs_code          2235002