Phosphinines versus mesoionic carbenes: a comparison of structurally related ligands in Au(i)-catalysis.
Rigo, Massimo; Hettmanczyk, Lara; Heutz, Frank J. L.; Hohloch, Stephan; Lutz, Martin; Sarkar, Biprajit; Müller, Christian; Dalton transactions (Cambridge, England : 2003) 46 (2016) 86–95; doi:10.1039/c6dt03766f

data_7041275
_publ_section_title
;
 Phosphinines versus mesoionic carbenes: a comparison of structurally
 related ligands in Au(i)-catalysis.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              86
_journal_page_last               95
_journal_paper_doi               10.1039/c6dt03766f
_journal_volume                  46
_journal_year                    2016
_chemical_formula_moiety         'C26 H23 Au Cl P, C4 H8 O'
_chemical_formula_sum            'C30 H31 Au Cl O P'
_chemical_formula_weight         670.93
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-08 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.994
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_diffrn_reflns_number            19592
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_diffrn_reflns_theta_min         2.651
_diffrn_source                   'rotating anode'
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_refine_ls_R_factor_all          0.0273
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+1.3019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0547
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_reflns_number_gt                5590
_reflns_number_total             6051
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03766f2.cif
_cod_data_source_block           s4081a
_cod_depositor_comments
'Adding full bibliography for 7041274--7041275.cif.'
_cod_database_code               7041275
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              28509