Structure of 1,4-benzenedicyanamide dianion derivatives
Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.; Acta Crystallographica Section C 49 (1993) 1543–1547; doi:10.1107/S0108270193001428

data_2001477
_publ_section_title
;
 Structure of 1,4-benzenedicyanamide dianion derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1543
_journal_page_last               1547
_journal_paper_doi               10.1107/S0108270193001428
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C24 H20 As)2,C10 H8 N4'
_chemical_formula_sum            'C58 H48 As2 N4'
_chemical_formula_weight         950.88
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 99.391(17)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8860(14)
_cell_length_b                   16.416(5)
_cell_length_c                   14.909(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      20
_cell_volume                     2387.1(9)
_diffrn_measurement_device       Rigaku
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3759
_diffrn_reflns_theta_max         23.45
_diffrn_standards_decay_%        0.757
_diffrn_standards_interval_time  150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.44
_exptl_absorpt_correction_T_max  0.7251
_exptl_absorpt_correction_T_min  0.6129
_exptl_absorpt_correction_type   \y-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.680
_refine_ls_extinction_coef       '0.183 (130) microns'
_refine_ls_goodness_of_fit_obs   3.63
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     290
_refine_ls_number_reflns         1648
_refine_ls_R_factor_obs          0.072
_refine_ls_shift/esd_max         0.105
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          1648
_reflns_number_total             3530
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            cd1008.cif
_cod_data_source_block           cd1008_structure_2_of_4
_cod_original_cell_volume        2387.2(10)
_cod_database_code               2001477