A molecular sphere of octahedral symmetryElectronic supplementary information (ESI) available: crystallography section; Figs. S1???S8: 1H NMR spectrum for 1. 1H, H???H COSY, NOESY, C???H COSY, 13C, DEPT NMR and CSI???MS spectra for 2. See http://www.rsc.org/suppdata/cc/b2/b206625b/
Chand, Dillip Kumar; Biradha, Kumar; Fujita, Makoto; Sakamoto, Shigeru; Yamaguchi, Kentaro; Chemical Communications  (2002) 2486–; doi:10.1039/b206625b

data_7114257
_publ_section_title
;
 A molecular sphere of octahedral symmetryElectronic supplementary
 information (ESI) available: crystallography section; Figs. S1???S8: 1H
 NMR spectrum for 1. 1H, H???H COSY, NOESY, C???H COSY, 13C, DEPT NMR and
 CSI???MS spectra for 2. See http://www.rsc.org/suppdata/cc/b2/b206625b/
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2486
_journal_paper_doi               10.1039/b206625b
_journal_year                    2002
_chemical_formula_sum            'C192 H168 N36 O36 Pd6'
_chemical_formula_weight         4194.13
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           134
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2bc'
_symmetry_space_group_name_H-M   'P 42/n n m :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            4
_cell_length_a                   34.312(4)
_cell_length_b                   34.312(4)
_cell_length_c                   29.063(4)
_cell_measurement_temperature    193(2)
_cell_volume                     34216(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.748
_diffrn_measured_fraction_theta_max 0.748
_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  0.1662
_diffrn_reflns_av_sigmaI/netI    0.1029
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            89663
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.347
_exptl_absorpt_correction_T_max  0.9339
_exptl_absorpt_correction_T_min  0.9339
_exptl_crystal_density_diffrn    0.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7800
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.201
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.397
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         11580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.397
_refine_ls_R_factor_all          0.2748
_refine_ls_R_factor_gt           0.1203
_refine_ls_shift/su_max          0.099
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2800
_refine_ls_wR_factor_ref         0.3134
_reflns_number_gt                4117
_reflns_number_total             11580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206625b.txt
_cod_data_source_block           nkb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        34217(7)
_cod_original_sg_symbol_H-M      P4(2)/nnm
_cod_database_code               7114257