Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+
Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan; CrystEngComm 26 (2024) 170–179; doi:10.1039/D3CE01076G

data_7247799
_publ_section_title
;
 Effects of solvents and metal ions on the synthesis, structural diversity
 and magnetic properties of the
 5&#x2032;-nitro-[1,1&#x2032;:3&#x2032;,1&#x2032;&#x2032;-terphenyl]-3,3&#x2032;&#x2032;,5,5&#x2032;&#x2032;-tetracarboxylic
 acid ligand and a highly sensitive sensor for Fe3+
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              170
_journal_page_last               179
_journal_paper_doi               10.1039/D3CE01076G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C52 H37 N7 Ni2 O12 [+ solvent = 11(H2 O)]'
_chemical_formula_sum            'C52 H59 N7 Ni2 O23'
_chemical_formula_weight         1267.48
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d :2'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-07-25 deposited with the CCDC.	2023-11-27 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.997
_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_av_R_equivalents  0.0674
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_diffrn_reflns_theta_max         28.423
_diffrn_reflns_theta_min         2.365
_exptl_absorpt_coefficient_mu    0.724
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            green
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7400
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0384
_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^)+(0.0328P)^2^+77.7489P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0897
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6281
_reflns_number_total             7400
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce01076g2.cif
_cod_data_source_block           complex3
_cod_depositor_comments
'Adding full bibliography for 7247796--7247799.cif.'
_cod_original_sg_symbol_H-M      'F d d d'
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