A [2]Catenane Constructed around a Rhodium(III) Center Used as a Template
Pierre Mobian; Jean-Marc Kern; Jean-Pierre Sauvage; Inorganic Chemistry 42 (2003) 8633–8637; doi:10.1021/ic030181g

data_4312747
_publ_section_title
;
 A [2]Catenane Constructed around a Rhodium(III) Center Used as a Template
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8633
_journal_page_last               8637
_journal_paper_doi               10.1021/ic030181g
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C158 H165 F36 N21 O13 P6 Rh2'
_chemical_formula_sum            'C158 H165 F36 N21 O13 P6 Rh2'
_chemical_formula_weight         3641.81
_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                76.478(5)
_cell_angle_beta                 88.744(5)
_cell_angle_gamma                73.413(5)
_cell_formula_units_Z            1
_cell_length_a                   11.2169(2)
_cell_length_b                   17.3198(3)
_cell_length_c                   24.4733(4)
_cell_measurement_reflns_used    20592
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.8
_cell_measurement_theta_min      1.4
_cell_volume                     4425.2(2)
_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_measurement_details
;
     20592 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 =  1.9 deg 1 scans of   50 sec per frame.
    Data collection was divided into  2 set(s)
    with the following starting angles and number of frames :

    Set 1 Theta =    6.80 Omega =    0.00 Kappa =    0.00  140 frames
    Set 2 Theta =   -4.70 Kappa = -166.00 Phi   =    0.00   37 frames
    Friedel pairs were averaged. Internal R = 0.05
;
_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  0.050
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            20592
_diffrn_reflns_theta_max         27.85
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.340
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.934
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.848
_refine_ls_goodness_of_fit_ref   1.227
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    6
_refine_ls_number_parameters     1022
_refine_ls_number_reflns         12593
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.117
_refine_ls_R_factor_gt           0.070
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.022
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.281
_refine_ls_wR_factor_ref         0.090
_reflns_number_gt                12593
_reflns_number_total             20592
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic030181g.cif
_cod_data_source_block           st1095
_cod_original_cell_volume        4425.2(1)
_cod_database_code               4312747