Electronic and geometrical manipulation of the excited state of bis-terdentate homo- and heteroleptic ruthenium complexes.
Dinda, Joydev; Liatard, Sébastien; Chauvin, Jérôme; Jouvenot, Damien; Loiseau, Frédérique; Dalton transactions (Cambridge, England : 2003) 40 (2011) 3683–3688; doi:10.1039/c0dt01197e

data_7015115
_publ_section_title
;
 Electronic and geometrical manipulation of the excited state of
 bis-terdentate homo- and heteroleptic ruthenium complexes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3683
_journal_page_last               3688
_journal_paper_doi               10.1039/c0dt01197e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C32 H31 Br2 N9 Ru'
_chemical_formula_weight         802.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2010-04-15
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
?
;
_cell_angle_alpha                90
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_cell_length_b                   11.357(6)
_cell_length_c                   16.695(2)
_cell_measurement_reflns_used    128
_cell_measurement_temperature    200.0
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_computing_cell_refinement       'Bruker Enraf Nonius kappa CCD'
_computing_data_collection       'Bruker Enraf Nonius kappa CCD'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      200.0
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker Enraf Nonius kappa CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
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_diffrn_orient_matrix_UB_22      0.00000
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_diffrn_orient_matrix_UB_33      0.00000
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25426
_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_standards_decay_%        0.00
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_exptl_absorpt_coefficient_mu    3.080
_exptl_absorpt_correction_T_max  0.540
_exptl_absorpt_correction_T_min  0.240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. SADABS, Version 2.03; University of Gottingen:
Gottingen, Germany, 2001.
;
_exptl_crystal_colour            red
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_exptl_crystal_density_meas      ?
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_refine_ls_shift/su_max          0.0220
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0468
_refine_ls_wR_factor_ref         0.0468
_reflns_number_gt                3689
_reflns_number_total             5591
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            c0dt01197e.txt
_cod_data_source_block           Mono_C
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        6302(4)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C32 H31 Br2 N9 Ru '
_cod_database_code               7015115