A new half-condensed Schiff base platform: structures and sensing of Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an aqueous medium.
Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra; Dalton transactions (Cambridge, England : 2003) 49 (2020) 8991–9001; doi:10.1039/d0dt01594f

data_7704575
_publ_section_title
;
 A new half-condensed Schiff base platform: structures and sensing of
 Zn<sup>2+</sup> and H<sub>2</sub>PO<sub>4</sub><sup>-</sup> ions in an
 aqueous medium.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8991
_journal_page_last               9001
_journal_paper_doi               10.1039/d0dt01594f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C84 H60 N8 O8 Zn2, C2 H3 N, O, O'
_chemical_formula_sum            'C86 H63 N9 O10 Zn2'
_chemical_formula_weight         1513.19
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-02-21 deposited with the CCDC.	2020-06-03 downloaded from the CCDC.
;
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_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_measurement_theta_max      28.409
_cell_measurement_theta_min      2.598
_cell_volume                     7399(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       '\W scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
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_diffrn_reflns_theta_max         28.409
_diffrn_reflns_theta_min         2.598
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.716
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_exptl_crystal_description       cube
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_refine_ls_R_factor_all          0.0713
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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^)+(0.0680P)^2^+6.6206P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1360
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_reflns_number_gt                6639
_reflns_number_total             9254
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7704574--7704575.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7704575
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