Synthesis, Characterization, and Electronic Properties of Porphyrins Conjugated with N-Heterocyclic Carbene (NHC)‒Gold(I) Complexes
Longevial, Jean-François; Langlois, Adam; Buisson, Antoine; Devillers, Charles H.; Clément, Sébastien; van der Lee, Arie; Harvey, Pierre D.; Richeter, Sébastien; Organometallics 35 (2016) 663–; doi:10.1021/acs.organomet.5b00966

data_4086411
_publ_section_title
;
 Synthesis, Characterization, and Electronic Properties of Porphyrins
 Conjugated with N-Heterocyclic Carbene (NHC)--Gold(I) Complexes
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              663
_journal_paper_doi               10.1021/acs.organomet.5b00966
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C63 H65 Cl0 I N6 O0'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.707
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_diffrn_reflns_theta_full        25.242
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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         7485
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1327
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_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1672P)^2^+4.9787P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4086410--4086411.cif.'
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_shelxl_version_number           2014/6
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