Anisotropic convergence of dendritic macromolecules facilitated by a heteroleptic metal-organic polyhedron scaffold.
Omoto, Kenichiro; Hosono, Nobuhiko; Gochomori, Mika; Albrecht, Ken; Yamamoto, Kimihisa; Kitagawa, Susumu; Chemical communications (Cambridge, England) 54 (2018) 5209–5212; doi:10.1039/c8cc02460j

data_7121563
_publ_section_title
;
 Anisotropic convergence of dendritic macromolecules facilitated by a
 heteroleptic metal-organic polyhedron scaffold.
;
_journal_issue                   41
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5209
_journal_page_last               5212
_journal_paper_doi               10.1039/c8cc02460j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C360 H198 Cu12 N18 O60'
_chemical_formula_sum            'C360 H198 Cu12 N18 O60'
_chemical_formula_weight         6498.16
_space_group_crystal_system      trigonal
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_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-03-02 deposited with the CCDC.
2018-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            6
_cell_length_a                   32.3220(8)
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_cell_length_c                   78.505(3)
_cell_measurement_reflns_used    21431
_cell_measurement_temperature    93
_cell_measurement_theta_max      22.42
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_cell_volume                     71027(4)
_computing_cell_refinement       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1507
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_diffrn_reflns_limit_l_min       -108
_diffrn_reflns_number            215015
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    0.911
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             19872.00
_exptl_crystal_size_max          0.1
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_refine_diff_density_max         1.88
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         23230
_refine_ls_number_restraints     820
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1705P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2694
_refine_ls_wR_factor_ref         0.3313
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8612
_reflns_number_total             23230
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c8cc02460j2.cif
_cod_data_source_block           Cu12IpG26L6
_cod_depositor_comments          'Adding full bibliography for 7121563.cif.'
_cod_database_code               7121563
_shelx_res_checksum              39466
_shelx_fab_checksum              13999