Fluorescence detection of Mn2+, Cr2O72− and nitroexplosives and photocatalytic degradation of methyl violet and rhodamine B based on two stable metal‒organic frameworks
Wu, Yu; Wu, Jian; Luo, Zhidong; Wang, Jun; Li, Yulong; Han, Yaoyao; Liu, Jianqiang; RSC Adv. 7 (2017) 10415–; doi:10.1039/C6RA28728J

data_7227643
_publ_section_title
;
 Fluorescence detection of Mn2+, Cr2O72&#x2212; and nitroexplosives and
 photocatalytic degradation of methyl violet and rhodamine B based on two
 stable metal--organic frameworks
;
_journal_issue                   17
_journal_name_full               'RSC Adv.'
_journal_page_first              10415
_journal_paper_doi               10.1039/C6RA28728J
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C29 H17 N3 O5 Zn'
_chemical_formula_weight         552.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-11-09 deposited with the CCDC.
2017-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 91.076(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.413(2)
_cell_length_b                   18.749(5)
_cell_length_c                   17.387(5)
_cell_measurement_reflns_used    4028
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.0373
_cell_measurement_theta_min      2.4215
_cell_volume                     3068.0(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  bruker-CCD
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0793
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5391
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_T_max  0.8707
_exptl_absorpt_correction_T_min  0.8371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5391
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0996
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0826P)^2^+6.9356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1901
_refine_ls_wR_factor_ref         0.1992
_reflns_number_gt                3904
_reflns_number_total             5391
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra28728j2.cif
_cod_data_source_block           ww
_cod_original_cell_volume        3067.9(14)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7227643