Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism
Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa; CrystEngComm  (2017) –; doi:10.1039/C7CE00219J

data_7228045
_publ_section_title
;
 Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile
 building block for design of diverse coordination polymers: Synthesis,
 structural features, luminescence sensing, and magnetism
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00219J
_journal_year                    2017
_chemical_formula_sum            'C81 H58 N9 Ni3 O17'
_chemical_formula_weight         1605.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-26 deposited with the CCDC.
2017-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_volume                     3862.8(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APE-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_number            13736
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.798
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
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_exptl_crystal_description       block
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.407
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_refine_ls_number_restraints     0
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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^)+(0.0619P)^2^+0.1136P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4812
_reflns_number_total             6929
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ce00219j2.cif
_cod_data_source_block           277-6Ni1
_cod_original_cell_volume        3862.7(3)
_cod_database_code               7228045
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_shelx_estimated_absorpt_t_min   0.819
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_shelx_res_checksum              44777