A Unique Non-catenane Interlocked Self-Assembled Supramolecular Architecture and Its Photophysical Properties
Vaishali Vajpayee; Young Ho Song; Timothy R. Cook; Hyunuk Kim; Youngil Lee; Peter J. Stang; Ki-Whan Chi; Journal of the American Chemical Society 133 (2011) 19646–19649; doi:10.1021/ja208495u

data_4107196
_publ_section_title
;
 A Unique Non-catenane Interlocked Self-Assembled Supramolecular
 Architecture and Its Photophysical Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              19646
_journal_page_last               19649
_journal_paper_doi               10.1021/ja208495u
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C216 H176 F24 N8 O40 Ru8 S8'
_chemical_formula_weight         5044.69
_chemical_name_systematic
; 
 ? 
;
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_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.01(3)
_cell_angle_beta                 101.86(3)
_cell_angle_gamma                92.81(3)
_cell_formula_units_Z            2
_cell_length_a                   21.535(4)
_cell_length_b                   22.948(5)
_cell_length_c                   25.314(5)
_cell_measurement_reflns_used    32690
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      1.23
_cell_volume                     12116(5)
_computing_cell_refinement       'DENZO (Z. Otwinowski and W. Minor, 1997)'
_computing_data_collection       'ADSC Quantum software'
_computing_data_reduction        'HKL2000 (Z. Otwinowski and W. Minor, 1997)'
_computing_molecular_graphics    'Materials Studio 4.1'
_computing_publication_material  'Materials Studio 4.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.627
_diffrn_measured_fraction_theta_max 0.627
_diffrn_measurement_device_type  'ADSC Quantum 210'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         synchrotron-PAL
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90000
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32690
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.23
_exptl_absorpt_coefficient_mu    1.191
_exptl_absorpt_correction_T_max  0.7163
_exptl_absorpt_correction_T_min  0.6805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_density_diffrn    1.383
_exptl_crystal_F_000             5088
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_platon_squeeze_details
;
;
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.847
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2737
_refine_ls_number_reflns         17229
_refine_ls_number_restraints     2920
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0939
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2812
_refine_ls_wR_factor_ref         0.3001
_reflns_number_gt                11333
_reflns_number_total             17229
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja208495u_si_002.cif
_cod_data_source_block           p-1
_cod_original_cell_volume        12116(4)
_cod_database_code               4107196