Unexpected Reactivity Patterns of Ruthenium Alkylidenes with N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)
Brown, Christopher C.; Plessow, Philipp N.; Rominger, Frank; Limbach, Michael; Hofmann, Peter; Organometallics 33 (2014) 6754–; doi:10.1021/om5005429

data_4084806
_publ_section_title
;
 Unexpected Reactivity Patterns of Ruthenium Alkylidenes with
 N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands (NHCPs)
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6754
_journal_paper_doi               10.1021/om5005429
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C37 H47 Cl2 N4 P Ru'
_chemical_formula_weight         750.73
_chemical_name_common            '2b in manuscript'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_a                   8.9978(6)
_cell_length_b                   14.2563(10)
_cell_length_c                   14.5573(11)
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_cell_measurement_theta_max      27.20
_cell_measurement_theta_min      2.39
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.9355
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2008). <i>SADABS</i>. University of G\"ottingen, Germany.
;
_exptl_crystal_colour            orange
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_exptl_crystal_density_method    'not measured'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+1.8098P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
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_reflns_number_gt                6426
_reflns_number_total             7439
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_cod_data_source_file            om5005429_si_003.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4084804--4084806.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4084806