Bis(μ-trimethylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis{[2-(2<i>H</i>-benzotriazol-2-yl)-4,6-di-<i>tert</i>-pentylphenolato-κ^2^<i>N</i>,<i>O</i>]zinc}
Lee, Hwi Hyun; Go, Min Jeong; Park, Ka Hyun; Kim, Youngjo; Lee, Junseong; Acta Crystallographica Section E 68 (2012) m87–; doi:10.1107/S1600536811054134

data_2233290
_publ_section_title
;
 Bis(\m-trimethylsilanolato-\k^2^<i>O</i>:<i>O</i>)bis{[2-(2<i>H</i>-benzotriazol-2-yl)-4,6-di-<i>tert</i>-pentylphenolato-\k^2^<i>N</i>,<i>O</i>]zinc}
;
_journal_coeditor_code           RZ2685
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m87
_journal_paper_doi               10.1107/S1600536811054134
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn2 (C22 H28 N3 O)2 (C3 H9 O Si)2]'
_chemical_formula_moiety         'C50 H74 N6 O4 Si2 Zn2'
_chemical_formula_sum            'C50 H74 N6 O4 Si2 Zn2'
_chemical_formula_weight         1010.11
_chemical_name_systematic
;
Bis(\m-trimethylsilanolato-\k^2^<i>O</i>:<i>O</i>)bis{[2-(2<i>H</i>-
benzotriazol-2-yl)-4,6-di-<i>tert</i>-pentylphenolato-
\k^2^<i>N</i>,<i>O</i>]zinc}
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.597(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.7640(4)
_cell_length_b                   10.7280(4)
_cell_length_c                   23.2314(9)
_cell_measurement_reflns_used    4477
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.86
_cell_measurement_theta_min      1.89
_cell_volume                     2682.53(18)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 1K CCD'
_diffrn_measurement_method       'profile data from /omega scans'
_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  0.0529
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            39361
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         30.36
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.985
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.513
_refine_diff_density_min         -0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         8000
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.8229P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.1083
_reflns_number_gt                5487
_reflns_number_total             8000
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2685.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2233290
_cod_database_fobs_code          2233290