Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo Type Complexes.
Casey, Charles P.; Guan, Hairong; Organometallics 31 (2012) 2631–2638; doi:10.1021/om2007453

data_4077851
_publ_section_title
;
 Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as
 Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo
 Type Complexes.
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2631
_journal_page_last               2638
_journal_paper_doi               10.1021/om2007453
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C15 H24 O4 Ru Si2'
_chemical_formula_sum            'C15 H24 O4 Ru Si2'
_chemical_formula_weight         425.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_c                   21.6070(8)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.4008
_cell_measurement_theta_min      2.3684
_cell_volume                     3915.4(3)
_computing_cell_refinement       'SAINT Ver. 6.22  (Bruker-AXS, 2003)'
_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2003)'
_computing_data_reduction        'SAINT Ver. 6.22'
_computing_molecular_graphics    'SHELXTL Ver. 6.10'
_computing_publication_material  'SHELXTL Ver. 6.10'
_computing_structure_refinement  'SHELXTL Ver. 6.10'
_computing_structure_solution    'SHELXTL Ver. 6.10 (Bruker-AXS, 2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker CCD-1000 area detector'
_diffrn_measurement_method       '0.30\% \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            43015
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_diffrn_reflns_theta_max         26.40
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_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.935
_exptl_absorpt_correction_T_max  0.7416
_exptl_absorpt_correction_T_min  0.6892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2003)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0181
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_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+2.5726P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0450
_refine_ls_wR_factor_ref         0.0461
_reflns_number_gt                3779
_reflns_number_total             4014
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2007453_si_002.cif
_cod_data_source_block           casey62
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 

 Adding full bibliography for 4077851.cif.
;
_cod_original_sg_symbol_Hall     '-P 2ac 2ab  '
_cod_original_sg_symbol_H-M      'P b c a     '
_cod_database_code               4077851