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_4084804
_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            'C33 H47 Cl2 N4 O P Ru'
_chemical_formula_weight         718.69
_chemical_name_common            '1b in manuscript'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_atom_sites_solution_primary     direct
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_cell_angle_beta                 101.753(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.2635(12)
_cell_length_b                   14.8790(12)
_cell_length_c                   16.2613(13)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.57
_cell_measurement_theta_min      2.21
_cell_volume                     3378.7(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II Quazar'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'ImuS microsource'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            58598
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.9591
_exptl_absorpt_correction_T_min  0.8667
_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            red
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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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^)+(0.0148P)^2^+3.9457P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0659
_reflns_number_gt                5361
_reflns_number_total             6586
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5005429_si_003.cif
_cod_data_source_block           chb6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/n
_cod_database_code               4084804