(<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-<i>N</i>,<i>N</i>'-bis(trichlorosilyl)ethylene-1,2-diamine
Yang, Wei; Zhang, Ming; Liu, Guangyan; Ding, Yuqiang; Acta Crystallographica Section E 65 (2009) o625–; doi:10.1107/S1600536809006011

data_2221045
_publ_section_title
(<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-<i>N</i>,<i>N</i>'-bis(trichlorosilyl)ethylene-1,2-diamine
_journal_coeditor_code           CV2522
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o625
_journal_paper_doi               10.1107/S1600536809006011
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C18 H20 Cl6 N2 Si2'
_chemical_formula_moiety         'C18 H20 Cl6 N2 Si2'
_chemical_formula_sum            'C18 H20 Cl6 N2 Si2'
_chemical_formula_weight         533.24
_chemical_name_systematic
;
(<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2,6-dimethylphenyl)-<i>N</i>,<i>N</i>'-
bis(trichlorosilyl)ethylene-1,2-diamine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.583(3)
_cell_angle_beta                 79.999(2)
_cell_angle_gamma                62.243(2)
_cell_formula_units_Z            1
_cell_length_a                   8.1858(3)
_cell_length_b                   8.4249(3)
_cell_length_c                   10.6074(4)
_cell_measurement_reflns_used    2127
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.61
_cell_measurement_theta_min      2.80
_cell_volume                     623.00(4)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX2 CCD 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     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6168
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.9392
_exptl_absorpt_correction_T_min  0.8970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             272
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.497
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.088
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.133P)^2^+0.1233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1781
_refine_ls_wR_factor_ref         0.2022
_reflns_number_gt                1729
_reflns_number_total             2168
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2522.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               2221045
_cod_database_fobs_code          2221045