Crystal structure of 1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)- trimethylsilanyl-amido]ruthenium(II), Ru(C~8~H~12~)(C~9~H~15~N~2~Si) ~2~
Deeken, S.; Irrgang, T.; Kempe, R.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 93–94; doi:

data_8101937
_publ_section_title
;
Crystal structure of 1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)-
trimethylsilanyl-amido]ruthenium(II), Ru(C~8~H~12~)(C~9~H~15~N~2~Si)
~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              93
_journal_page_last               94
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'C26 H42 N4 Ru Si2'
_chemical_formula_weight         567.89
_chemical_name_systematic
;
1,5-cyclooctadiene-bis[(4-methyl-pyridin-2-yl)-trimethylsilanyl-
amido]ruthenium(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.000
_cell_angle_beta                 96.735(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   16.399(2)
_cell_length_b                   16.138(2)
_cell_length_c                   21.349(2)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    193(2)
_cell_volume                     5611.0(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Stoe IPDS II'
_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  0.0975
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37728
_diffrn_reflns_theta_full        26.22
_diffrn_reflns_theta_max         26.22
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        no
_exptl_absorpt_coefficient_mu    0.665
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.690
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0340
_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^)+(0.0435P)^2^+9.6993P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0967
_reflns_number_gt                4356
_reflns_number_total             5568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1733.cff
_cod_data_source_block           k046m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'no' was replaced with
'none' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
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_cod_original_cell_volume        5611(3)
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8101937