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_7035851
_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 H116 Cu6 O P6 Si12'
_chemical_formula_weight         1517.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-06-30 deposited with the CCDC.
2015-07-07 downloaded from the CCDC.
;
_cell_angle_alpha                62.453(15)
_cell_angle_beta                 73.25(2)
_cell_angle_gamma                77.325(18)
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_cell_length_b                   15.477(10)
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_cell_measurement_theta_max      27.23
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_diffrn_ambient_temperature      150
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.941
_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
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0640
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_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            46231
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         2.338
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.806
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6864
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_description       prism
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.270
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_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.969
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         12781
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0908P)^2^+3.4812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1833
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8013
_reflns_number_total             12781
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt02040a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7035850--7035853.cif.'
_cod_database_code               7035851
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.641
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_shelx_res_checksum              14541