Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties
Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der; CrystEngComm 26 (2024) 431–438; doi:10.1039/D3CE01096A

data_7247879
_publ_section_title
;
 Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and
 polycarboxylic acid: synthesis, structures and sensing properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              431
_journal_page_last               438
_journal_paper_doi               10.1039/D3CE01096A
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C41 H36 Cd N6 O9'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2023-11-01 deposited with the CCDC.	2023-12-18 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    0.624
_exptl_absorpt_correction_T_max  0.7457
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9706
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1120
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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^)+(0.0511P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0966
_refine_ls_wR_factor_ref         0.1148
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5760
_reflns_number_total             9706
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce01096a2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi_scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7247877--7247879.cif.
;
_cod_original_cell_volume        3900.93(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7247879
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.835
_shelx_estimated_absorpt_t_max   0.940
_shelx_res_checksum              84866