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_4311294
_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         'C18 H14 Cl2 N4 O Ru'
_chemical_formula_sum            'C18 H14 Cl2 N4 O Ru'
_chemical_formula_weight         474.31
_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'
_cell_angle_alpha                99.214(5)
_cell_angle_beta                 101.015(5)
_cell_angle_gamma                93.748(5)
_cell_formula_units_Z            2
_cell_length_a                   8.7062(3)
_cell_length_b                   10.3326(4)
_cell_length_c                   10.8419(4)
_cell_measurement_reflns_used    13310
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     940.35(6)
_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_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details
;
   13310 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   40 sec per frame.
  Data collection was divided into  1 set(s)
  with the following starting angles and number of frames :

  Set 1 Theta =    8.20 Omega =    0.00 Kappa =    0.00   91 frames
  Friedel pairs were averaged. Internal R = 0.04
;
_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  0.040
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13310
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.132
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.826
_refine_diff_density_min         -0.791
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.299
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3647
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_gt           0.029
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.147
_refine_ls_wR_factor_ref         0.046
_reflns_number_gt                3647
_reflns_number_total             4261
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic049822dsi20040212_091550_1.cif
_cod_data_source_block           st516
_cod_original_cell_volume        940.3(1)
_cod_database_code               4311294