Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.
Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva; Inorganic chemistry 54 (2015) 9201–9210; doi:10.1021/acs.inorgchem.5b01638

data_4346535
_publ_section_title
;
 Accessing sodium ferrate complexes containing neutral and anionic
 N-heterocyclic carbene ligands: structural, synthetic, and magnetic
 insights.
;
_journal_issue                   18
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9201
_journal_page_last               9210
_journal_paper_doi               10.1021/acs.inorgchem.5b01638
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C55 H107 Fe N4 Na O3 Si5'
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_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_exptl_absorpt_correction_T_min  0.76383
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale_green
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_exptl_crystal_description       prisms
_exptl_crystal_F_000             1192
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         14558
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0581P)^2^+2.5568P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1274
_refine_ls_wR_factor_ref         0.1533
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9995
_reflns_number_total             14558
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b01638_si_002.cif
_cod_data_source_block           lewis_43
_cod_database_code               4346535
_shelxl_version_number           2013-3
_shelx_res_checksum              26665
_shelx_hkl_checksum              26170