cis-[Ru(2,2':6',2''-terpyridine)(DMSO)Cl2]: Useful Precursor for the Synthesis of Heteroleptic Terpyridine Complexes under Mild Conditions
Raymond Ziessel; Vincent Grosshenny; Muriel Hissler; Christophe Stroh; Inorganic Chemistry 43 (2004) 4262–4271; doi:10.1021/ic049822d

data_4311295
_publ_contact_author_address
;
 Laboratoire de Chimie Mol\'eculaire, Associ\'e au CNRS,
 Ecole de Chimie, Polym\`eres, Mat\'eriaux de Strasbourg (ECPM),
 25 rue Becquerel, 67087 Strasbourg, Cedex 02, France 
;
_publ_contact_author_email       ziessel@chimie.u-strasbg.fr
_publ_contact_author_fax         33.3.90.24.26.89
_publ_contact_author_name        'Raymond Ziessel'
_publ_contact_author_phone       33.3.90.24.26.89
_publ_section_title
;
 cis-[Ru(2,2':6',2''-terpyridine)(DMSO)Cl2]: Useful Precursor for the
 Synthesis of Heteroleptic Terpyridine Complexes under Mild Conditions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4262
_journal_page_last               4271
_journal_paper_doi               10.1021/ic049822d
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C37 H44 Cl10 N6 O4 Ru2 S2'
_chemical_formula_sum            'C37 H44 Cl10 N6 O4 Ru2 S2'
_chemical_formula_weight         1257.60
_chemical_name_systematic        ' ?'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.496(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.9878(4)
_cell_length_b                   29.844(1)
_cell_length_c                   8.6903(5)
_cell_measurement_reflns_used    4851
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.4
_cell_volume                     2504.5(2)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measurement_details
;
    4851 reflections were collected using program Collect
  ("Collect" Data collection software, Nonius B.V., 1998)
  The conditions were as follow : crystal to detector distance =  36. mm.
  Scan angle =  2.0 deg 1 scans of   70 sec per frame.
  Data collection was divided into  2 set(s)
  with the following starting angles and number of frames :

  Set 1 Theta =    6.30 Omega =    0.00 Kappa =    0.00   95 frames
  Set 2 Theta =   -2.70 Kappa = -132.00 Phi   =    0.00   25 frames
  Friedel pairs were averaged. Internal R = 0.05
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4851
_diffrn_reflns_theta_max         27.40
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.264
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1260
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.885
_refine_diff_density_min         -0.659
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.953
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    1
_refine_ls_number_parameters     168
_refine_ls_number_reflns         1818
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.087
_refine_ls_R_factor_gt           0.055
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.134
_refine_ls_wR_factor_ref         0.072
_reflns_number_gt                1818
_reflns_number_total             2637
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic049822dsi20040212_091550_2.cif
_cod_data_source_block           st964
_cod_database_code               4311295