Bis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II)
Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris; Acta Crystallographica Section E 62 (2006) m1901–m1903; doi:10.1107/S1600536806027358

data_2209980
_publ_section_title
Bis[<i>N</i>-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato-\k^2^<i>N</i>,<i>N</i>']zinc(II)
_journal_coeditor_code           RZ2053
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1901
_journal_page_last               m1903
_journal_paper_doi               10.1107/S1600536806027358
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn (C17 H7 Br2 F6 N2 O2 S1)2]'
_chemical_formula_moiety         'C34 H14 Br4 F12 N4 O4 S2 Zn'
_chemical_formula_sum            'C34 H14 Br4 F12 N4 O4 S2 Zn'
_chemical_formula_weight         1219.62
_chemical_name_systematic
;Bis[N-(5,7-dibromoquinolin-8-yl)-3,5-bis(trifluoromethyl)benzenesulfonamidato-
\k^2^N,N']zinc(II)
;
_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                90.091(4)
_cell_angle_beta                 100.293(4)
_cell_angle_gamma                100.519(4)
_cell_formula_units_Z            2
_cell_length_a                   11.7057(6)
_cell_length_b                   12.4768(6)
_cell_length_c                   14.0759(7)
_cell_measurement_reflns_used    7161
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      1.92
_cell_volume                     1987.46(18)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2004)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2003)
;
_computing_data_reduction
;
CrysAlis RED
;
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer with a Sapphire CCD detector
;
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13514
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.13
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.845
_exptl_absorpt_correction_T_max  0.3772
_exptl_absorpt_correction_T_min  0.1758
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.038
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.696
_refine_diff_density_min         -1.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7836
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0420
_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^)+(0.0338P)^2^+9.6563P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                6792
_reflns_number_total             7836
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2053.cif
_cod_data_source_block           I
_cod_original_cell_volume        1987.46(17)
_cod_database_code               2209980
_cod_database_fobs_code          2209980