Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting
Howlader, Prodip; Mukherjee, Partha Sarathi; Chem. Sci. 7 (2016) 5893–; doi:10.1039/C6SC02012G

data_1543354
_publ_section_title
;
 Face and edge directed self-assembly of Pd12tetrahedral nano-cages and
 their self-sorting
;
_journal_issue                   9
_journal_name_full               'Chem. Sci.'
_journal_page_first              5893
_journal_paper_doi               10.1039/C6SC02012G
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C60 H108 N42 O22 Pd6'
_chemical_formula_weight         2408.28
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-30 deposited with the CCDC.
2016-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      110(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_number            302467
_diffrn_reflns_point_group_measured_fraction_full 0.970
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_diffrn_reflns_theta_min         2.995
_exptl_absorpt_coefficient_mu    0.967
_exptl_crystal_colour            Colourless
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_exptl_crystal_description       Block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1680P)^2^+120.6092P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2335
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_reflns_number_gt                17936
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6sc02012g2.cif
_cod_data_source_block           P
_cod_depositor_comments
'Adding full bibliography for 1543353--1543355.cif.'
_cod_original_cell_volume        11770.5(16)
_cod_database_code               1543354