Constructing supramolecular grids: from 4f square to 3d-4f grid
Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang; Chem.Commun. 51 (2015) 17317–; doi:10.1039/C5cc06960B

data_7118122
_publ_section_title
;
 Constructing supramolecular grids: from 4f square to 3d-4f grid
;
_journal_name_full               Chem.Commun.
_journal_page_first              17317
_journal_paper_doi               10.1039/C5cc06960B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C80 H76 Dy4 F12 N28 O44 S4'
_chemical_formula_weight         3139.92
_space_group_crystal_system      tetragonal
_space_group_IT_number           141
_space_group_name_Hall           '-I 4bd 2'
_space_group_name_H-M_alt        'I 41/a m d'
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-28 deposited with the CCDC.
2015-10-02 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.63
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_cell_volume                     17608(4)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_number            49084
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_exptl_absorpt_correction_T_min  0.667
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_refine_ls_R_factor_all          0.1603
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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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_friedel_fraction_full    .
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_reflns_number_gt                2309
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc06960b2_a.cif
_cod_data_source_block           Dy4L4CF3SO3
_cod_original_cell_volume        17609(5)
_cod_database_code               7118122
_audit_block_doi                 10.5517/cc1jhxkh
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              20429