Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the Scission of a C═N Bond on a Triruthenium Plane
Kanda, Hideyuki; Kawashima, Takashi; Takao, Toshiro; Suzuki, Hiroharu; Organometallics 31 (2012) 1917–; doi:10.1021/om201230u

data_4076474
_publ_section_title
;
 Reactions of a Triruthenium Pentahydrido Complex with Imines Leading to
 the Formation of a Perpendicularly Coordinated Iminoacyl Ligand and the
 Scission of a C&#x2550;N Bond on a Triruthenium Plane
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1917
_journal_paper_doi               10.1021/om201230u
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C44 H56 F3 N Ru3'
_chemical_formula_weight         959.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_atom_sites_solution_hydrogens   geom
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_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.01
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_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'SHELXS-97 (Sheldrick, 1990)'
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_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID Imaging Plate'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         27.47
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_exptl_absorpt_coefficient_mu    1.154
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7990
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0291
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+11.0667P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0699
_reflns_number_gt                15648
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_cod_data_source_file            om201230u_si_002.cif
_cod_data_source_block           7d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' 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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4076474