Cooperative Catalysis: Large Rate Enhancements with Bimetallic Rhodium Complexes
Choy, Sandra W. S.; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.; Organometallics 32 (2013) 4726–; doi:10.1021/om400613b

data_4089592
_publ_section_title
;
 Cooperative Catalysis: Large Rate Enhancements with Bimetallic Rhodium
 Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4726
_journal_paper_doi               10.1021/om400613b
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C32 H12 B F24, C13 H11 N3 O2 Rh'
_chemical_formula_sum            'C45 H23 B F24 N3 O2 Rh'
_chemical_formula_weight         1207.38
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_cell_length_c                   21.0961(8)
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_computing_cell_refinement       '<i>APEX2 </i>(Bruker, 2007)'
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker kappa APEXII CCD Diffractometer'
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_exptl_crystal_colour            'Yellow orange'
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_exptl_crystal_description       Block
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0692
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0784P)^2^+21.2855P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1700
_refine_ls_wR_factor_ref         0.1820
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6973
_reflns_number_total             8285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om400613b_si_002.cif
_cod_data_source_block           Sandra6_2
_cod_depositor_comments
;
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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4089592
_shelx_estimated_absorpt_t_min   0.816
_shelx_estimated_absorpt_t_max   0.914
_shelxl_version_number           2013-2
_shelx_res_checksum              29066
_shelx_hkl_checksum              96067