Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand
Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman; Inorganic Chemistry 40 (2001) 5051–5054; doi:10.1021/ic010560e

data_4320268
_publ_section_title
;
 Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky
 Schiff Base Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5051
_journal_page_last               5054
_journal_paper_doi               10.1021/ic010560e
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C33 H56 N2 O Si2 Zn'
_chemical_formula_weight         618.382
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                78.8470(12)
_cell_angle_beta                 88.3583(11)
_cell_angle_gamma                64.1491(13)
_cell_formula_units_Z            2
_cell_length_a                   10.7872(3)
_cell_length_b                   10.8787(3)
_cell_length_c                   17.4470(5)
_cell_measurement_reflns_used    7385
_cell_measurement_temperature    113
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.8
_cell_volume                     1804.14(9)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_details
'   0.30 degree frames measured for  10.13 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            27631
_diffrn_reflns_theta_full        27.5509
_diffrn_reflns_theta_max         27.5509
_diffrn_reflns_theta_min         2.03713
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  215
_diffrn_standards_number         2269
_exptl_absorpt_coefficient_mu    0.7723
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irreg plate'
_exptl_crystal_F_000             668
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .10
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       -0.00000054(6)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   0.7396
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         4744
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.0244
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0321
_reflns_number_gt                5226
_reflns_number_total             8268
_reflns_threshold_expression     'Fo^2^> 2.33\s(Fo^2^)'
_cod_data_source_file            ic010560e_1.cif
_cod_data_source_block           MSC00062
_cod_original_formula_sum        'C33 H56 N2 O1 Si2 Zn1'
_cod_database_code               4320268