Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes.
Doyle, Lauren E.; Piers, Warren E.; Bi, David W.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4346–4354; doi:10.1039/c7dt00563f

data_7042379
_publ_section_title
;
 Cationic PCP iridaepoxide and carbene complexes for facile water
 elimination and activation processes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4346
_journal_page_last               4354
_journal_paper_doi               10.1039/c7dt00563f
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety
'C32H42IrOP2S2, C2F5.61NO4S2, C3H6O, 0.394(F)'
_chemical_formula_sum            'C37 H48 F6 Ir N O6 P2 S4'
_chemical_formula_weight         1099.14
_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
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_audit_update_record
;
2017-02-02 deposited with the CCDC.
2017-03-08 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa CCD area detector'
_diffrn_measurement_method       '\w & \f scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0151P)^2^+5.4408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                10365
_reflns_number_total             11422
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           LD5_76
_cod_depositor_comments
'Adding full bibliography for 7042378--7042379.cif.'
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