Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain.
Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale; Fernández, Israel; Dalton transactions (Cambridge, England : 2003) 42 (2013) 5412–5420; doi:10.1039/c3dt33051f

data_7022803
_publ_section_title
;
 Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side
 chain.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5412
_journal_page_last               5420
_journal_paper_doi               10.1039/c3dt33051f
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C27 H27 Cl O4 P Ru, F6 Sb, C3 H6 O'
_chemical_formula_sum            'C30 H33 Cl F6 O5 P Ru Sb'
_chemical_formula_weight         876.80
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_measurement_temperature    293(2)
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.995
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_diffrn_measurement_device
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165 mm Onyx CCD detector in \k-geometry diffractometer
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_diffrn_measurement_device_type
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Oxford Diffraction Xcalibur Nova
;
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_coefficient_mu    11.671
_exptl_absorpt_correction_T_max  1.00000
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.1671
_exptl_crystal_size_mid          0.1267
_exptl_crystal_size_min          0.0871
_refine_diff_density_max         2.422
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_refine_ls_number_parameters     392
_refine_ls_number_reflns         6878
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_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1015P)^2^+7.6131P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1672
_refine_ls_wR_factor_ref         0.1700
_reflns_number_gt                6432
_reflns_number_total             6878
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c3dt33051f.txt
_cod_data_source_block           5a
_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 21/n'
_cod_database_code               7022803