A Stable 3D Porous Coordination Polymer as Multi-Chemosensor to Cr(IV) anion and Fe(III) cation and Its Selective Adsorption of Malachite Green Oxalate Dye
Huang, wenhuan; Li, Jiazhi; Liu, Tong; Gao, Lu-Sha; Jiang, Min; Zhang, Yanan; Wang, Yao-Yu; RSC Adv.  (2015) –; doi:10.1039/C5RA20015F

data_7223156
_publ_section_title
;
 A Stable 3D Porous Coordination Polymer as Multi-Chemosensor to Cr(IV)
 anion and Fe(III) cation and Its Selective Adsorption of Malachite Green
 Oxalate Dye
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA20015F
_journal_year                    2015
_chemical_formula_sum            'C42 H26 O20 Zn5'
_chemical_formula_weight         1177.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-06-27 deposited with the CCDC.
2015-11-03 downloaded from the CCDC.
;
_cell_angle_alpha                95.69
_cell_angle_beta                 99.77
_cell_angle_gamma                98.01
_cell_formula_units_Z            1
_cell_length_a                   6.327
_cell_length_b                   12.671
_cell_length_c                   15.684
_cell_measurement_temperature    296(2)
_cell_volume                     1217.300
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6227
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    2.501
_exptl_absorpt_correction_T_max  0.8362
_exptl_absorpt_correction_T_min  0.7474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.614
_refine_diff_density_min         -1.205
_refine_diff_density_rms         0.249
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4294
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1390
_refine_ls_wR_factor_ref         0.1454
_reflns_number_gt                3413
_reflns_number_total             4294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra20015f2.cif
_cod_data_source_block           xb5504_0m
_cod_original_cell_volume        1217.3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7223156