Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.
Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli; Dalton transactions (Cambridge, England : 2003) 53 (2024) 7734–7741; doi:10.1039/d4dt00590b

data_7715727
_publ_section_title
;
 Discovery of two predictable (3,18)-connected topologies based on
 Wells-Dawson type cages for the design of porous metal
 phosphonocarboxylate frameworks.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7734
_journal_page_last               7741
_journal_paper_doi               10.1039/d4dt00590b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C210 H214 Mn24 N12 O107 P12, (H2O)'
_chemical_formula_sum            'C210 H216 Mn24 N12 O108 P12'
_chemical_formula_weight         6308.12
_space_group_crystal_system      trigonal
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_space_group_name_Hall           '-P 3 2c'
_space_group_name_H-M_alt        'P -3 1 c'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-04-03 deposited with the CCDC.	2024-04-11 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.0590
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0937P)^2^+36.9931P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1539
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4248
_reflns_number_total             4794
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00590b2.cif
_cod_data_source_block           230721b_a_sq
_cod_depositor_comments
'Adding full bibliography for 7715722--7715727.cif.'
_cod_database_code               7715727
_shelx_shelxl_version_number     2019/3
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