Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)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) m516–m517; doi:10.1107/S1600536806004855

data_2208257
_publ_section_title
Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-\k^2^<i>N</i>,<i>N</i>']zinc(II)
_journal_coeditor_code           BT2003
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m516
_journal_page_last               m517
_journal_paper_doi               10.1107/S1600536806004855
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn (C24 H29 N2 O2 S)2]'
_chemical_formula_moiety         'C48 H58 N4 O4 S2 Zn'
_chemical_formula_sum            'C48 H58 N4 O4 S2 Zn'
_chemical_formula_weight         884.47
_chemical_name_systematic
Bis[2,4,6-triisopropyl-N-(quinolin-8-yl)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                71.723(5)
_cell_angle_beta                 79.277(4)
_cell_angle_gamma                69.875(5)
_cell_formula_units_Z            2
_cell_length_a                   9.9732(6)
_cell_length_b                   14.3281(8)
_cell_length_c                   17.0425(8)
_cell_measurement_reflns_used    7555
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.24
_cell_volume                     2162.9(2)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2004)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2004)
;
_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 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur with Sapphire CCD detector
;
_diffrn_measurement_method
;
Rotation method data acquisition using \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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15135
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         4.11
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_max  0.8996
_exptl_absorpt_correction_T_min  0.8031
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED--CCD; Oxford Diffraction, 2004)'
_exptl_crystal_colour            'bright yellow'
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.636
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0391
_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^)+(0.0529P)^2^+1.6914P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                7417
_reflns_number_total             8527
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2003.cif
_cod_data_source_block           I
_cod_database_code               2208257
_cod_database_fobs_code          2208257