Switchable thiophene coordination in Ru(ii) bipyridyl phosphinoterthiophene complexesElectronic supplementary information (ESI) available: synthetic details and characterization data for all complexes. See http://www.rsc.org/suppdata/cc/b2/b209035j/
Moorlag, Carolyn; Clot, Olivier; Wolf, Michael O.; Patrick, Brian O.; Chemical Communications  (2002) 3028–; doi:10.1039/b209035j

data_7114175
_publ_section_title
;
 Switchable thiophene coordination in Ru(ii) bipyridyl
 phosphinoterthiophene complexesElectronic supplementary information (ESI)
 available: synthetic details and characterization data for all complexes.
 See http://www.rsc.org/suppdata/cc/b2/b209035j/
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              3028
_journal_paper_doi               10.1039/b209035j
_journal_year                    2002
_chemical_formula_sum            'C47 H38 F6 N4 O P2 Ru S3'
_chemical_formula_weight         1048.03
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.207(5)
_cell_angle_beta                 79.517(5)
_cell_angle_gamma                88.763(6)
_cell_formula_units_Z            2
_cell_length_a                   10.1989(3)
_cell_length_b                   14.9169(5)
_cell_length_c                   15.2939(3)
_cell_measurement_reflns_used    13692
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.18
_cell_volume                     2230.70(12)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR97 (Altomare, et. al. 1998)
;
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04517
_diffrn_reflns_av_sigmaI/netI    0.090
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20959
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.631
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      ?
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1064.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.004
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     577
_refine_ls_number_reflns         9173
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.034
_refine_ls_shift/su_max          0.0030
_refine_ls_shift/su_mean         0.1170
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^) + 0.00024|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0899
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                6582
_reflns_number_total             9173
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            b209035j.txt
_cod_data_source_block           mw016/1b/CM35
_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        2230.7(1)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C47 H38 F6 N4 O P2 S3 Ru '
_cod_database_code               7114175