Structural difference due to intramolecular stacking interactions in dinuclear rhodium(III) complexes [{Rh(η5-C5Me5)(L)}2]n+ containing pyrimidine-2-thionate and related ligands
Yamanari, Kazuaki; Fukuda, Ito; Yamamoto, Shiori; Kushi, Yoshihiko; Fuyuhiro, Akira; Kubota, Naoko; Fukuo, Tsuyoshi; Arakawa, Ryuichi; Journal of the Chemical Society, Dalton Transactions  (2000) 2131–; doi:10.1039/b000098l

data_7009349
_publ_section_title
;
 Structural difference due to intramolecular stacking interactions in
 dinuclear rhodium(III) complexes [{Rh(\h5-C5Me5)(L)}2]n+ containing
 pyrimidine-2-thionate and related ligands
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2131
_journal_paper_doi               10.1039/b000098l
_journal_year                    2000
_chemical_formula_sum            'C30 H42 N2 O5 Rh2 S2'
_chemical_formula_weight         780.60
_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                95.32(4)
_cell_angle_beta                 110.15(4)
_cell_angle_gamma                107.24(3)
_cell_formula_units_Z            2
_cell_length_a                   11.101(6)
_cell_length_b                   16.935(7)
_cell_length_c                   9.974(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     1641.0(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 1.0009
_diffrn_measured_fraction_theta_max 1.0009
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9882
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        0.68
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.31
_refine_diff_density_min         -1.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.358
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     370
_refine_ls_number_reflns         8036
_refine_ls_R_factor_gt           0.0328
_refine_ls_shift/su_max          0.0062
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0512
_reflns_number_gt                8036
_reflns_number_total             3188
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b000098l.txt
_cod_data_source_block           '[Rh2(Cp*)2(mpol)2].3H2O'
_cod_original_cell_volume        1641(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C30 H42 N2 O5 S2 Rh2 '
_cod_database_code               7009349