From double-shelled grids to supramolecular frameworks.
Wu, Jianfeng; Guo, Mei; Li, Xiao-Lei; Zhao, Lang; Sun, Qing-Fu; Layfield, Richard A.; Tang, Jinkui; Chemical communications (Cambridge, England) 54 (2018) 12097–12100; doi:10.1039/c8cc06411c

data_7122413
_publ_section_title
;
 From double-shelled grids to supramolecular frameworks.
;
_journal_issue                   85
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12097
_journal_page_last               12100
_journal_paper_doi               10.1039/c8cc06411c
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C160 H128 Cl6 Cu4 Dy4 N56 O32'
_chemical_formula_weight         4464.04
_space_group_crystal_system      cubic
_space_group_IT_number           230
_space_group_name_Hall           '-I 4bd 2c 3'
_space_group_name_H-M_alt        'I a -3 d'
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2018-09-24 deposited with the CCDC.
2018-10-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   63.821(2)
_cell_length_b                   63.821(2)
_cell_length_c                   63.821(2)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.50
_cell_measurement_theta_min      3.70
_cell_volume                     259951(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-2016/4 (Sheldrick, 2016)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_unetI/netI     0.0550
_diffrn_reflns_Laue_measured_fraction_full 0.993
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_diffrn_reflns_limit_l_max       74
_diffrn_reflns_limit_l_min       -37
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_diffrn_reflns_theta_full        25.054
_diffrn_reflns_theta_max         25.054
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_exptl_absorpt_correction_T_max  0.815
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    0.684
_exptl_crystal_description       block
_exptl_crystal_F_000             53232
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.110
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         19084
_refine_ls_number_restraints     384
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1675
_refine_ls_R_factor_gt           0.1062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1045P)^2^+2823.7329P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2563
_refine_ls_wR_factor_ref         0.3106
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10812
_reflns_number_total             19084
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc06411c2.cif
_cod_data_source_block           2_Dy4Cu4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi_scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7122412--7122413.cif.
;
_cod_original_cell_volume        259954(26)
_cod_database_code               7122413
_shelx_shelxl_version_number     2016/4
_shelx_res_checksum              90913
_shelx_fab_checksum              56447