A New Type of Entanglement Involving Ribbons of Rings and Two Different Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D Supramolecular Architecture
Tian, Li; Zhang, Zhen-Jie; Yu, Ao; Shi, Wei; Chen, Zhi; Cheng, Peng; Crystal Growth & Design 10 (2010) 3847–; doi:10.1021/cg100635r

data_4501887
_publ_section_title
;
 A New Type of Entanglement Involving Ribbons of Rings and Two Different
 Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D
 Supramolecular Architecture
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              3847
_journal_paper_doi               10.1021/cg100635r
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C132 H182 Cu9 N72 O64 S6'
_chemical_formula_weight         4565.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.608(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1963(2)
_cell_length_b                   23.3619(5)
_cell_length_c                   40.0346(11)
_cell_measurement_reflns_used    10275
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2468
_cell_measurement_theta_min      2.4950
_cell_volume                     9535.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0978
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            27249
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    1.152
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86783
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4677
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.367
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1358
_refine_ls_number_reflns         16215
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0992
_refine_ls_R_factor_gt           0.0607
_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^)+(0.0905P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1655
_reflns_number_gt                10075
_reflns_number_total             16215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100635r_si_003.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4501887