Synthesis and characterisation of an N-heterocyclic carbene with spatially-defined steric impact.
Shaw, Paul; Kennedy, Alan R.; Nelson, David J.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 11772–11780; doi:10.1039/c6dt02100j

data_7039574
_publ_section_title
;
 Synthesis and characterisation of an N-heterocyclic carbene with
 spatially-defined steric impact.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               11780
_journal_paper_doi               10.1039/c6dt02100j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C53 H52 Cl Ir N2'
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_chemical_name_systematic
;
 ?
;
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;
2016-05-25 deposited with the CCDC.
2016-06-16 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_full 0.941
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_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.367
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_exptl_crystal_description       plate
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_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                8263
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c6dt02100j2.cif
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'Adding full bibliography for 7039571--7039574.cif.'
_cod_original_cell_volume        2295.19(14)
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_cod_database_code               7039574