[5-Amino-6,8-dichloro-2,3-bis(2-pyridyl)quinoxaline]dichlorozinc(II)
Dao-Li An; Miao Du; Xian-He Bu; Kumar Biradha; Mitsuhiko Shionoya; Acta Crystallographica Section E 58 (2002) m436–m438; doi:10.1107/S1600536802011996

data_2201706
_publ_section_title
;
 [5-Amino-6,8-dichloro-2,3-bis(2-pyridyl)quinoxaline]dichlorozinc(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m436
_journal_page_last               m438
_journal_paper_doi               10.1107/S1600536802011996
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Zn Cl2 (C18 H11 N5 Cl2)]'
_chemical_formula_moiety         'C18 H11 Cl4 N5 Zn'
_chemical_formula_sum            'C18 H11 Cl4 N5 Zn'
_chemical_formula_weight         504.49
_chemical_name_systematic
;
[5-Amino-6,8-dichloro-2,3-bis(2-pyridyl)quinoxaline]dichlorozinc(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.04(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.097(9)
_cell_length_b                   8.922(3)
_cell_length_c                   13.858(4)
_cell_measurement_reflns_used    10665
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.3
_cell_volume                     1959.8(14)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 47.4
_diffrn_measured_fraction_theta_max 25.00
_diffrn_measurement_device       'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.096
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10833
_diffrn_reflns_theta_full        47.4
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.81
_exptl_absorpt_correction_T_max  0.713
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'[SAINT (Bruker 1998) and SADABS (Sheldrick, 1997)]'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3451
_refine_ls_R_factor_all          0.096
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0256P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.078
_refine_ls_wR_factor_ref         0.088
_reflns_number_gt                2107
_reflns_number_total             3451
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6113.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201706
_cod_database_fobs_code          2201706