Self-assembly of a unique hexadecanuclear [4 � (2 � 2)]-Pb16� ?grid of grids? type structureElectronic supplementary information (ESI) available: synthesis of L. See http://www.rsc.org/suppdata/cc/b3/b308512k/
Onions, Stuart T.; Frankin, Anthony M.; Horton, Peter N.; Hursthouse, Michael B.; Matthews, Craig J.; Chemical Communications  (2003) 2864–; doi:10.1039/b308512k

data_7113809
_publ_section_title
;
 Self-assembly of a unique hexadecanuclear [4 &#xFFFD; (2 &#xFFFD;
 2)]-Pb16&#xFFFD; ?grid of grids? type structureElectronic supplementary
 information (ESI) available: synthesis of L. See
 http://www.rsc.org/suppdata/cc/b3/b308512k/
;
_journal_issue                   23
_journal_name_full               'Chemical Communications'
_journal_page_first              2864
_journal_paper_doi               10.1039/b308512k
_journal_year                    2003
_chemical_formula_sum            'C240 H244 F48 N96 O106 Pb16 S16'
_chemical_formula_weight         10907.68
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.14(3)
_cell_angle_beta                 93.11(3)
_cell_angle_gamma                98.53(3)
_cell_formula_units_Z            2
_cell_length_a                   15.689(3)
_cell_length_b                   31.782(6)
_cell_length_c                   37.709(8)
_cell_measurement_reflns_used    42949
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     17099(7)
_computing_cell_refinement
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection       ' DENZO (Otwinowski and Minor, 1997)'
_computing_data_reduction
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.816
_diffrn_measured_fraction_theta_max 0.816
_diffrn_measurement_device_type  'Nonius KappaCCD Area Detector'
_diffrn_measurement_method       '\f and \w scans to fill Ewald Sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1691
_diffrn_reflns_av_sigmaI/netI    0.2143
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            133702
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    8.066
_exptl_absorpt_correction_T_max  0.7385
_exptl_absorpt_correction_T_min  0.2376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV Blessing (1997)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.118
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             10405
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.254
_refine_diff_density_min         -2.539
_refine_diff_density_rms         0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2167
_refine_ls_number_reflns         57118
_refine_ls_number_restraints     3853
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.2378
_refine_ls_R_factor_gt           0.1256
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1359P)^2^+695.2895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2826
_refine_ls_wR_factor_ref         0.3519
_reflns_number_gt                27882
_reflns_number_total             57118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b308512k.txt
_cod_data_source_block           s92
_cod_original_cell_volume        17100(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7113809