Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds
Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto; Inorganic Chemistry 51 (2012) 10996–11006; doi:10.1021/ic3014893

data_4330674
_publ_contact_author_email       xdjiang@henu.edu.cn
_publ_contact_author_name        'Xin-Dong Jiang'
_publ_section_title
;
 Synthesis and Characterization of Antiapicophilic Arsoranes and Related
 Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10996
_journal_page_last               11006
_journal_paper_doi               10.1021/ic3014893
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C18 H9 As F12 O3'
_chemical_formula_weight         576.17
_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                67.2910(10)
_cell_angle_beta                 87.6990(10)
_cell_angle_gamma                88.6520(10)
_cell_formula_units_Z            4
_cell_length_a                   11.5340(2)
_cell_length_b                   12.6580(2)
_cell_length_c                   15.0050(2)
_cell_measurement_temperature    298(2)
_cell_volume                     2019.16(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.910
_diffrn_measured_fraction_theta_max 0.910
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8827
_diffrn_reflns_theta_full        27.94
_diffrn_reflns_theta_max         27.94
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    1.812
_exptl_absorpt_correction_T_max  0.7132
_exptl_absorpt_correction_T_min  0.4644
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.508
_refine_diff_density_min         -1.378
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     615
_refine_ls_number_reflns         8827
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0455
_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^)+(0.0790P)^2^+1.6165P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                7707
_reflns_number_total             8827
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3014893_si_002_2.cif
_cod_data_source_block           418_3a
_cod_original_cell_volume        2019.16(5)
_cod_database_code               4330674