Synthesis of rhenium‒platinum complexes bearing carbaborane ligands and their unusual dynamic behavior †
Ellis, Dianne D.; Jelliss, Paul A.; Stone, F. Gordon A.; Journal of the Chemical Society, Dalton Transactions  (2000) 2113–; doi:10.1039/b002043p

data_7009571
_publ_section_title
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 Synthesis of rhenium--platinum complexes bearing carbaborane ligands
 and their unusual dynamic behavior&#x200A;&#x2020;
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_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2113
_journal_paper_doi               10.1039/b002043p
_journal_year                    2000
_chemical_formula_moiety         'C32 H36 B9 Cl2 O3 P2 Pt Re'
_chemical_formula_sum            'C32 H36 B9 Cl2 O3 P2 Pt Re'
_chemical_formula_weight         1080.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Enraf Nonius CAD4'
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_computing_molecular_graphics    'XP in SHELXTL-PC (Siemens, 1990)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Siemens, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       Enraf-Nonius
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0368
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_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.56145
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_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_obs          0.0523
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_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0517P)^2^+0.5597P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1256
_refine_ls_wR_factor_obs         0.1109
_reflns_number_observed          3599
_reflns_number_total             5019
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002043p.txt
_cod_data_source_block           3a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0517P)^2^+0.5597P] 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^)+(0.0517P)^2^+0.5597P] 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        1922.4(5)
_cod_database_code               7009571