Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.
Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14341–14348; doi:10.1039/c5dt01806d

data_7035593
_publ_section_title
;
 Syntheses, structural characterisation and electronic structures of some
 simple acyclic amino carbene complexes.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14341
_journal_page_last               14348
_journal_paper_doi               10.1039/c5dt01806d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C33 H34 N P2 Ru, F6 P'
_chemical_formula_sum            'C33 H34 F6 N P3 Ru'
_chemical_formula_weight         752.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-04-24T14:41:54-00:00
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_audit_update_record
;
2015-05-06 deposited with the CCDC.
2015-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.9220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_measurement_reflns_used    23199
_cell_measurement_temperature    100(2)
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_cell_volume                     6366.92(14)
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        CrysAlisPro, Agilent Technologies,
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
        (compiled Jan 14 2014,18:38:05) 
;
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       CrysAlisPro, Agilent Technologies,
       Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
       (compiled Jan 14 2014,18:38:05)
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_diffrn_orient_matrix_UB_33      -0.0318689
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            63852
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.679
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
         CrysAlisPro, Agilent Technologies
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
_exptl_crystal_F_000             3056
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_exptl_crystal_size_mid          0.21
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         14611
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_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0446P)^2^+6.4753P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0921
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                12339
_reflns_number_total             14611
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01806d1.cif
_cod_data_source_block           2b_di24
_cod_depositor_comments
'Adding full bibliography for 7035590--7035593.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7035593
_shelx_res_checksum              25601