Bis{<i>N</i>-[(dimethylamino)dimethylsilyl]-2,6-dimethylanilido-κ^2^<i>N</i>,<i>N</i>'}zinc(II)
Chen, Juan; Cao, Ke-Ning; Guo, Jianping; Acta Crystallographica Section E 63 (2007) m3112–m3112; doi:10.1107/S1600536807052440

data_2216673
_publ_section_title
Bis{<i>N</i>-[(dimethylamino)dimethylsilyl]-2,6-dimethylanilido-\k^2^<i>N</i>,<i>N</i>'}zinc(II)
_journal_coeditor_code           NG2346
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3112
_journal_page_last               m3112
_journal_paper_doi               10.1107/S1600536807052440
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C12 H21 N2 Si)2]'
_chemical_formula_moiety         'C24 H42 N4 Si2 Zn'
_chemical_formula_sum            'C24 H42 N4 Si2 Zn'
_chemical_formula_weight         508.17
_chemical_name_systematic
;Bis{<i>N</i>-[(dimethylamino)dimethylsilyl]-2,6-dimethylanilido-\k^2^<i>N</i>,
<i>N</i>'}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
_cell_angle_alpha                88.654(5)
_cell_angle_beta                 86.151(5)
_cell_angle_gamma                89.858(5)
_cell_formula_units_Z            4
_cell_length_a                   9.600(5)
_cell_length_b                   10.447(5)
_cell_length_c                   27.338(5)
_cell_measurement_reflns_used    2236
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.0995
_cell_measurement_theta_min      2.3005
_cell_volume                     2735(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker SMART area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.1156
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            11316
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        3.81
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_T_max  0.8245
_exptl_absorpt_correction_T_min  0.7876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.613
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         9429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0712P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1494
_refine_ls_wR_factor_ref         0.1612
_reflns_number_gt                5229
_reflns_number_total             9429
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2346.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2216673
_cod_database_fobs_code          2216673