(Diphenyl sulfoxide)dimethyl(η^5^-pentamethylcyclopentadienyl)rhodium(III)
Andreas Decken; Annie Michaud; Sophie Mathiotte; Frédéric-Georges Fontaine; Acta Crystallographica Section E 63 (2007) m2253–m2253; doi:10.1107/S1600536807034204

data_2215181
_publ_section_title
;
 (Diphenyl
 sulfoxide)dimethyl(\h^5^-pentamethylcyclopentadienyl)rhodium(III)
;
_journal_coeditor_code           IS2194
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2253
_journal_page_last               m2253
_journal_paper_doi               10.1107/S1600536807034204
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Rh (C H3)2 (C10 H15) (C12 H10 O S)]'
_chemical_formula_moiety         'C24 H31 O Rh S'
_chemical_formula_sum            'C24 H31 O Rh S'
_chemical_formula_weight         470.46
_chemical_name_systematic
;
(Diphenyl sulfoxide)dimethyl(\h^5^-pentamethylcyclopentadienyl)rhodium(III)
;
_space_group_IT_number           56
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_symmetry_space_group_name_Hall  '-P 2ab 2ac'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_measurement_reflns_used    6117
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_cell_measurement_theta_min      2.8345
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_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'SMART (Bruker, 1999)'
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_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      183.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4/SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
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_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1997a)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
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_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.039P)^2^+7.0043P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4379.1(8)
_cod_database_code               2215181
_cod_database_fobs_code          2215181