Toward autonomously operating molecular machines driven by transition-metal catalyst.
Tanaka, Kenichi; Kinbara, Kazushi; Molecular bioSystems 4 (2008) 512–514; doi:10.1039/b801621f

data_1515999
_publ_section_title
;
 Toward autonomously operating molecular machines driven by
 transition-metal catalyst.
;
_journal_issue                   6
_journal_name_full               'Molecular bioSystems'
_journal_page_first              512
_journal_page_last               514
_journal_paper_doi               10.1039/b801621f
_journal_volume                  4
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C61 H48 Cl Fe O3 P2 Rh '
_chemical_formula_sum            'C61 H48 Cl Fe O3 P2 Rh'
_chemical_formula_weight         1085.15
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                75.982(7)
_cell_angle_beta                 74.937(7)
_cell_angle_gamma                78.025(7)
_cell_formula_units_Z            1
_cell_length_a                   9.356(2)
_cell_length_b                   10.965(2)
_cell_length_c                   12.863(3)
_cell_measurement_reflns_used    4320
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1221.5(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9438
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             556.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.22
_refine_diff_density_min         -0.71
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 2071 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.060(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.254
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     671
_refine_ls_number_reflns         7275
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.0066
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0266
_reflns_number_gt                7275
_reflns_number_total             9081
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b801621f.txt
_cod_data_source_block           '__RhFeTrans2'
_cod_original_formula_sum        'C61 H48 Cl Fe O3 P2 Rh '
_cod_database_code               1515999