Toward a Photochemical and Thermal Molecular Machine: Reversible Ligand Dissociation and Binding in a Ruthenium(II)-2,2'-bipyridine Complex with Tris(2-pyridylmethyl)amine
Takahiko Kojima; Taisuke Sakamoto; Yoshihisa Matsuda; Inorganic Chemistry 43 (2004) 2243–2245; doi:10.1021/ic035137f

data_4310784
_publ_section_title
;
 Toward a Photochemical and Thermal Molecular Machine: Reversible Ligand
 Dissociation and Binding in a Ruthenium(II)-2,2'-bipyridine Complex with
 Tris(2-pyridylmethyl)amine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2243
_journal_page_last               2245
_journal_paper_doi               10.1021/ic035137f
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C28 H26 F12 N6 P2 Ru'
_chemical_formula_weight         837.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.116(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0220(9)
_cell_length_b                   18.463(1)
_cell_length_c                   13.8049(9)
_cell_measurement_reflns_used    23418
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.2
_cell_volume                     3256.8(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9935
_diffrn_measured_fraction_theta_max 0.9935
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26599
_diffrn_reflns_theta_full        27.34
_diffrn_reflns_theta_max         27.34
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7302
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                4736
_reflns_number_total             7310
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic035137fsi20031001_012247.cif
_cod_data_source_block           sakamoto1
_cod_original_formula_sum        'C28 H26 F12 N6 P2 Ru '
_cod_database_code               4310784