A mesoionic nitrogen-donor ligand: structure, iridium coordination, and catalytic effects.
Navarro, Miquel; Li, Mo; Bernhard, Stefan; Albrecht, Martin; Dalton transactions (Cambridge, England : 2003) 47 (2018) 659–662; doi:10.1039/c7dt04555g

data_7044968
_publ_section_title
;
 A mesoionic nitrogen-donor ligand: structure, iridium coordination, and
 catalytic effects.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              659
_journal_page_last               662
_journal_paper_doi               10.1039/c7dt04555g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C16 H19 N2 O4, C2 H3 N, I'
_chemical_formula_sum            'C18 H22 I N3 O4'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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;
2017-10-25 deposited with the CCDC.
2017-12-06 downloaded from the CCDC.
;
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_diffrn_ambient_environment      N~2~
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'CrysAlisPro convention (1999,Acta A55,543-557)'
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
        CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
        Spherical absorption correction
 using equivalent radius and absorption coefficient.
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.261
_exptl_crystal_size_min          0.099
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_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0203P)^2^+0.8724P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0481
_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           17ma150b_mnb399
_cod_depositor_comments
'Adding full bibliography for 7044968--7044970.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
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