4-(4-carboxyphenoxy)phthalate-based coordination polymers and their application in sensing nitrobenzene.
Wang, Yan-Ning; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing; Dalton transactions (Cambridge, England : 2003) 44 (2015) 1655–1663; doi:10.1039/c4dt02762k

data_7033304
_publ_section_title
;
 4-(4-carboxyphenoxy)phthalate-based coordination polymers and their
 application in sensing nitrobenzene.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1655
_journal_page_last               1663
_journal_paper_doi               10.1039/c4dt02762k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C54 H41 Cd3 N4 O15.5'
_chemical_formula_weight         1331.11
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                97.36(3)
_cell_formula_units_Z            2
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_cell_length_b                   12.408(3)
_cell_length_c                   21.148(4)
_cell_measurement_temperature    293(2)
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_computing_cell_refinement       Process-auto
_computing_data_collection       Process-auto
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25610
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_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Process-auto
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1322
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_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0509P)^2^+0.2276P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02762k2.cif
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_cod_depositor_comments
'Adding full bibliography for 7033304--7033305.cif.'
_cod_original_cell_volume        2599.9(9)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C54 H41 Cd3 N4 O15.50'
_cod_database_code               7033304