Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.
Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.; Chemical communications (Cambridge, England) 54 (2018) 7645–7648; doi:10.1039/c8cc03972k

data_7121873
_publ_section_title
;
 Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.
;
_journal_issue                   55
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7645
_journal_page_last               7648
_journal_paper_doi               10.1039/c8cc03972k
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C27 H37 I N2 P, I, C H2 Cl2'
_chemical_formula_sum            'C28 H39 Cl2 I2 N2 P'
_chemical_formula_weight         759.28
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-05-11 deposited with the CCDC.
2018-06-11 downloaded from the CCDC.
;
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_cell_measurement_theta_max      30.57
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEXII Duo'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            39444
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_diffrn_reflns_theta_max         30.571
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Blessing, 1995'
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_refine_ls_number_reflns         9825
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0278
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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^)+(0.0251P)^2^+3.5701P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0642
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8159
_reflns_number_total             9825
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           g442_sq
_cod_depositor_comments
'Adding full bibliography for 7121868--7121873.cif.'
_cod_database_code               7121873
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.399
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