Modulation of axial coordination in N-confused porphyrin‒antimony(V) dibromide complex by proton stimulus
Liu, Jia-Cheng; Ishizuka, Tomoya; Osuka, Atsuhiro; Furuta, Hiroyuki; Chemical Communications (Cambridge, United Kingdom)  (2003) 1908–1909; doi:10.1039/b301539b

data_7113505
_publ_section_title
;
 Modulation of axial coordination in N-confused porphyrin--antimony(V)
 dibromide complex by proton stimulus
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   15
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1908
_journal_page_last               1909
_journal_paper_doi               10.1039/b301539b
_journal_year                    2003
_chemical_formula_moiety         'C44.45 H28.90 Br3 Cl0.90 N4 Sb '
_chemical_formula_sum            'C44.45 H28.9 Br3 Cl0.9 N4 Sb'
_chemical_formula_weight         1012.41
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.781(1)
_cell_length_b                   7.6026(3)
_cell_length_c                   15.0019(8)
_cell_measurement_reflns_used    25919
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     2027.98(18)
_computing_data_reduction        CrystalStructure
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9985
_diffrn_measured_fraction_theta_max 0.9985
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17597
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.739
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.36
_refine_diff_density_min         -2.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1494
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                1494
_reflns_number_total             2413
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_duplicate_entry             7103794
_cod_data_source_file            b301539b.txt
_cod_data_source_block           H-NCP-SbBr2-Br
_cod_original_cell_volume        2028.0(2)
_cod_original_sg_symbol_H-M      Pnnm
_cod_original_formula_sum        'C44.45 H28.90 Br3 Cl0.90 N4 Sb '
_cod_database_code               7113505