Synthesis, characterisation and photophysical studies of leucotriarylmethanes-containing ligands and their rhenium(I) tricarbonyl diimine complexes.
Ko, Chi-Chiu; Ng, Chi-On; Feng, Hua; Chu, Wing-Kin; Dalton transactions (Cambridge, England : 2003) 39 (2010) 6475–6482; doi:10.1039/b927167h

data_7025352
_publ_section_title
;
 Synthesis, characterisation and photophysical studies of
 leucotriarylmethanes-containing ligands and their rhenium(I) tricarbonyl
 diimine complexes.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6475
_journal_page_last               6482
_journal_paper_doi               10.1039/b927167h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C39 H30 Br2 F3 N6 O6 Re S'
_chemical_formula_sum            'C39 H30 Br2 F3 N6 O6 Re S'
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_computing_cell_refinement       'CrysAlisPro (Oxford, 2009)'
_computing_data_collection       'CrysAlisPro (Oxford, 2009)'
_computing_data_reduction        'CrysAlisPro (Oxford, 2009)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device_type
'Goniometer Xcalibur, detector: Sapphire3 (Gemini ultra Mo)'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.31 (release 08-01-2009 CrysAlis171 .NET)
(compiled Jan 8 2009,16:24:04)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0873
_reflns_number_gt                4632
_reflns_number_total             7169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927167h.txt
_cod_data_source_block           Complex_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               7025352