Synthesis and Characterization of Rhodium(III) Dichloro Complexes with Unsymmetrically Bound Salen-Type Ligands
Renee A. Stinziano-Eveland; SonBinh T. Nguyen; Louise M. Liable-Sands; Arnold L. Rheingold; Inorganic Chemistry 39 (2000) 2452–2455; doi:10.1021/ic990548a

data_4321016
_publ_contact_author
;
     Dr. S. T. Nguyen
     Department of Chemistry
     Northwestern University
     2145 Sheridan Road
     Evanston, IL  60208
     USA
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_publ_contact_author_email       stn@chem.nwu.edu
_publ_contact_author_fax         '+847 491 7713'
_publ_contact_author_phone       '+847 491 5371'
_publ_section_title
;
 Synthesis and Characterization of Rhodium(III) Dichloro Complexes with
 Unsymmetrically Bound Salen-Type Ligands
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2452
_journal_page_last               2455
_journal_paper_doi               10.1021/ic990548a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C38 H57 Cl6 N2 O2 Rh'
_chemical_formula_weight         889.47
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 96.4862(9)
_cell_angle_gamma                90.00
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_cell_length_a                   12.5463(3)
_cell_length_b                   12.4447(3)
_cell_length_c                   28.2073(7)
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_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     4375.95(18)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_computing_structure_refinement  'SHELXL-5.03 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS-5.03 (Sheldrick, 1994)'
_diffrn_ambient_temperature      198(2)
_diffrn_measurement_device       'Siemens P4/CCD'
_diffrn_measurement_method       'phi, omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_h_max       15
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_diffrn_standards_decay_%        <1.0
_exptl_absorpt_coefficient_mu    0.789
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       blade
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.40
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_refine_ls_hydrogen_treatment
'idealized except for OH hydrogen on salen ligand'
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1377
_refine_ls_wR_factor_obs         0.1213
_reflns_number_observed          5245
_reflns_number_total             7380
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic990548a.cif
_cod_data_source_block           nguy01
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4376.0(2)
_cod_database_code               4321016