Enhanced thermal stability of Cu-silylphosphido complexes via NHC ligation.
Khalili Najafabadi, Bahareh; Corrigan, John F.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14235–14241; doi:10.1039/c5dt02040a

data_7035853
_publ_section_title
;
 Enhanced thermal stability of Cu-silylphosphido complexes via NHC
 ligation.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14235
_journal_page_last               14241
_journal_paper_doi               10.1039/c5dt02040a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C40 H62 Cu N2 P Si2'
_chemical_formula_weight         721.60
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-26 deposited with the CCDC.
2015-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_T_max  0.7457
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10642
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_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0925
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+31.5232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2520
_refine_ls_wR_factor_ref         0.2630
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8290
_reflns_number_total             10642
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02040a2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7035850--7035853.cif.'
_cod_database_code               7035853
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.769
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_shelx_res_checksum              34007