Bottom up Synthesis That Does Not Start at the Bottom: Quadruple Covalent Cross-Linking of Nanoscale Faceted Polyhedra
John J. Perry; Victor Ch. Kravtsov; Gregory J. McManus; Michael J. Zaworotko; Journal of the American Chemical Society 129 (2007) 10076–10077; doi:10.1021/ja0734952

data_4109792
_publ_section_title
;
 Bottom up Synthesis That Does Not Start at the Bottom: Quadruple Covalent
 Cross-Linking of Nanoscale Faceted Polyhedra
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10076
_journal_page_last               10077
_journal_paper_doi               10.1021/ja0734952
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C304 H216 Cu24 O144 S8'
_chemical_formula_weight         7954.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           97
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 2'
_symmetry_space_group_name_H-M   'I 4 2 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   28.885(4)
_cell_length_b                   28.885(4)
_cell_length_c                   28.305(6)
_cell_measurement_temperature    100(2)
_cell_volume                     23616(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.3244
_diffrn_reflns_av_sigmaI/netI    0.3359
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            52801
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.159
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_description       prism
_exptl_crystal_F_000             8032
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.135
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.54(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         8752
_refine_ls_number_restraints     635
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.2820
_refine_ls_R_factor_gt           0.1032
_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^)+(0.1023P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.2874
_reflns_number_gt                2505
_reflns_number_total             8752
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0734952si20070516_030528.cif
_cod_data_source_block           jp520d22_h1
_cod_database_code               4109792