A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.
Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.; Journal of the American Chemical Society 137 (2015) 15692–15695; doi:10.1021/jacs.5b12148

data_4129953
_publ_section_title
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 A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.
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_journal_issue                   50
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15692
_journal_page_last               15695
_journal_paper_doi               10.1021/jacs.5b12148
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C24 H32 N3 O4 Rh'
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_cell_formula_units_Z            2
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_cell_length_b                   8.5761(2)
_cell_length_c                   17.2066(12)
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Rigaku CrystalClear-SM Expert 2.0 r15 
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Rigaku CrystalClear-SM Expert 2.0 r15 
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Rigaku CrystalClear-SM Expert 2.0 r15 
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_computing_molecular_graphics
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Dolomanov, O.V.; Bourhis, L.J.; Gildea, R.J.; Howard, J.A.K.; Puschmann, H., 
OLEX2: A complete structure solution, refinement and analysis program 
(2009). J. Appl. Cryst., 42, 339-341. 
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_computing_publication_material  'SHELXL-2013/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 10.0000
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Rigaku CrystalClear-SM Expert 2.0 r15 
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'Sealed Tube'
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_exptl_crystal_colour            Yellow
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+0.9590P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0462
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5137
_reflns_number_total             5357
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b12148_si_002.cif
_cod_data_source_block           merRhIII
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_database_code               4129953
_shelx_res_checksum              96394
_shelx_hkl_checksum              11635
_shelx_shelxl_version_number     2014/7