The First RuIIPdII2S3 Metallochelate Ring Formed on a [Ru(bpy)2]2+ Core
Takashi Yoshimura; Atsushi Shinohara; Masakazu Hirotsu; Takumi Konno; Chemistry Letters 34 (2005) 1310–; doi:10.1246/cl.2005.1310

data_8000072
_publ_contact_author
;
      Takashi Yoshimura
   Department of Chemistry, Graduate School of Science, Osaka University,
Toyonaka, Osaka, 560-0043, Japan
;
_publ_section_title
;
 The First RuIIPdII2S3 Metallochelate Ring Formed on a [Ru(bpy)2]2+
 Core
;
_journal_issue                   10
_journal_name_full               'Chemistry Letters'
_journal_page_first              1310
_journal_paper_doi               10.1246/cl.2005.1310
_journal_volume                  34
_journal_year                    2005
_chemical_formula_moiety         'C26 H38 Cl3 N7 O10 Pd2 S3 Ru '
_chemical_formula_sum            'C26 H38 Cl3 N7 O10 Pd2 Ru S3'
_chemical_formula_weight         1125.04
_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                93.93(1)
_cell_angle_beta                 108.99(2)
_cell_angle_gamma                84.12(2)
_cell_formula_units_Z            2
_cell_length_a                   13.710(4)
_cell_length_b                   14.199(2)
_cell_length_c                   11.059(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.1
_cell_volume                     2023.6(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR92
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9705
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.13
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.658
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1116.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.47
_refine_diff_density_min         -0.78
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     469
_refine_ls_number_reflns         9311
_refine_ls_R_factor_gt           0.0578
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1960
_reflns_number_gt                4840
_reflns_number_total             9311
_reflns_threshold_expression     >2.0sigma(I)
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-09-09
;
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C26 H38 Cl3 N7 O10 Pd2 S3 Ru '
_cod_database_code               8000072