5,10-Diiodo-5,10-dihydroboranthrene
Akutsu, H.; Kozawa, K.; Uchida, T.; Acta Crystallographica Section C 52 (1996) 991–993; doi:10.1107/S0108270195010742

data_2004677
_publ_section_title
;
 5,10-Diiodo-5,10-dihydroboranthrene
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              991
_journal_page_last               993
_journal_paper_doi               10.1107/S0108270195010742
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C12 H8 B2 I2'
_chemical_formula_sum            'C12 H8 B2 I2'
_chemical_formula_weight         427.63
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90.23(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.246(2)
_cell_length_b                   14.487(2)
_cell_length_c                   4.2536(5)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.6
_cell_measurement_theta_min      14.5
_cell_volume                     631.37(17)
_computing_cell_refinement       'Rigaku RASA-5P program system'
_computing_data_collection       'Rigaku RASA-5P program system'
_computing_data_reduction        'Rigaku RASA-5P program system'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'UNICS (Sakurai, 1967)'
_computing_structure_solution    'MULTAN84 (Main, Germain & Woolfson, 1984)'
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1072
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        7
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.01
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.250
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.9
_refine_diff_density_min         -1.8
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.53
_refine_ls_hydrogen_treatment    'Only coordinates of H atoms refined'
_refine_ls_number_parameters     55
_refine_ls_number_reflns         790
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.23
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/[\s^2^(F)]'
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          792
_reflns_number_total             957
_reflns_observed_criterion       refl_observed_if_F_>_3.0_sigma(F)
_cod_data_source_file            as1194.cif
_cod_data_source_block           as1194
_cod_original_cell_volume        631.4(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2004677