Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring
Jian-Yu Zheng; Katsuaki Konishi; Takuzo Aida; Inorganic Chemistry 37 (1998) 2591–2594; doi:10.1021/ic971266i

data_4322780
_publ_section_title
;
 Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic
 Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2591
_journal_page_last               2594
_journal_paper_doi               10.1021/ic971266i
_journal_volume                  37
_journal_year                    1998
_chemical_compound_source        'Aida laboratory'
_chemical_formula_sum            'C52 H50 N4 Si3'
_chemical_formula_weight         815.30
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_atom_type_scat_source           'International Tables (1974)'
_cell_angle_alpha                90.000000(0)
_cell_angle_beta                 100.03(2)
_cell_angle_gamma                90.000000(0)
_cell_formula_units_Z            4
_cell_length_a                   12.104(3)
_cell_length_b                   18.381(4)
_cell_length_c                   20.850(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    298
_cell_measurement_theta_max      30
_cell_measurement_theta_min      1.5
_cell_volume                     4567.9(18)
_computing_cell_refinement       'MXC(MAC Science)'
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_computing_data_reduction        Crystan
_computing_molecular_graphics    Crystan
_computing_publication_material  Crystan
_computing_structure_refinement  Crystan
_computing_structure_solution    Crystan
_diffrn_measurement_device       'Mac Science MXC18'
_diffrn_measurement_method       theta/2theta
_diffrn_orient_matrix_type       standard
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_diffrn_orient_matrix_UB_21      0.04431
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_diffrn_orient_matrix_UB_31      0.01118
_diffrn_orient_matrix_UB_32      0.03489
_diffrn_orient_matrix_UB_33      0.06379
_diffrn_radiation_type           'Cu K-alpha'
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_density_meas      1.190
_exptl_crystal_description       Cube
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.7
_exptl_crystal_size_min          0.6
_refine_diff_density_max         2.36
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_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   2.680
_refine_ls_hydrogen_treatment    noref
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_refine_ls_structure_factor_coef F
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_reflns_observed_criterion       refl_observed_if_I_>_2.00_sigma(I)
_cod_data_source_file            ic971266i_1.cif
_cod_data_source_block           Si(TPP)(CH2(CH3)3)2
_cod_original_cell_volume        4568(2)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4322780