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_7114176
_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 H39 F12 N4 O P3 Ru S3'
_chemical_formula_weight         1194.00
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.704(6)
_cell_angle_beta                 76.606(7)
_cell_angle_gamma                91.102(8)
_cell_formula_units_Z            2
_cell_length_a                   10.9127(4)
_cell_length_b                   11.2475(4)
_cell_length_c                   20.5749(4)
_cell_measurement_reflns_used    14384
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.40
_cell_volume                     2360.96(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 11.76
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.865
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0765
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22282
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7576
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1204
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.894
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         9749
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1058
_reflns_number_gt                7610
_reflns_number_total             9749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209035j.txt
_cod_data_source_block           mw015/1a
_cod_original_cell_volume        2360.96(12)
_cod_database_code               7114176