2D coordination polymers of cadmium(II) and zinc(II) derived from N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis, structures, spectroscopic properties and influence of metal-ion size.
Zhang, Zheng; Zhao, Lei; Yu, Hai Yan; Zhang, Hong Tao; Acta crystallographica. Section C, Structural chemistry 80 (2024) –; doi:10.1107/S2053229624008003

data_2312598
_publ_section_title
;
 2D coordination polymers of cadmium(II) and zinc(II) derived from
 N,N'-bis(glycinyl)pyromellitic diimide: microwave-assisted synthesis,
 structures, spectroscopic properties and influence of metal-ion size.
;
_journal_coeditor_code           OP3031
_journal_issue                   10
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229624008003
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          '[Zn (C14 H6 N2 O8) (H2 O)2], H2 O'
_chemical_formula_moiety         'C14 H10 N2 O10 Zn, H2 O'
_chemical_formula_sum            'C14 H12 N2 O11 Zn'
_chemical_formula_weight         449.63
_chemical_name_systematic
;Poly[[tetraaqua[\m~4~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
[\m~2~-2,2'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-<i>f</i>]isoindole-2,6-diyl)diacetato-\k^2^<i>O</i>:<i>O</i>']dizinc(II)]
dihydrate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 94.409(2)
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;
SAINT (Bruker, 2004)
;
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;
APEX2 (Bruker, 2004)
;
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;
SAINT (Bruker, 2004)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS97 (Sheldrick, 2008)
;
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -6
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_diffrn_reflns_limit_l_min       -37
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_diffrn_reflns_theta_max         27.568
_diffrn_reflns_theta_min         1.970
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_description       needle
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.018
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.411
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0543P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1008
_refine_ls_wR_factor_ref         0.1152
_reflns_number_gt                2458
_reflns_number_total             3664
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            op3031sup1.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2312598
_shelx_estimated_absorpt_t_min   0.537
_shelx_estimated_absorpt_t_max   0.972
_shelx_hkl_checksum              44766
_shelx_res_checksum              71987
_cod_database_fobs_code 2312598