Fluorene-based Cu(II)-MOF: a visual colorimetric anion sensor and separator based on an anion-exchange approach
Jian-Ping Ma; Yang Yu; Yu-Bin Dong; Chem.Commun. 48 (2012) 2946–; doi:10.1039/c2cc16800f

data_7107463
_publ_section_title
;
 Fluorene-based Cu(II)-MOF: a visual colorimetric anion sensor and
 separator based on an anion-exchange approach
;
_journal_name_full               Chem.Commun.
_journal_page_first              2946
_journal_paper_doi               10.1039/c2cc16800f
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C66.25 H76.5 Cl6.5 Cu N6 O8'
_chemical_formula_weight         1378.80
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 105.515(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.679(4)
_cell_length_b                   27.788(7)
_cell_length_c                   17.240(5)
_cell_measurement_reflns_used    9455
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26.431
_cell_measurement_theta_min      2.462
_cell_volume                     7238(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0799
_diffrn_reflns_av_sigmaI/netI    0.1011
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35528
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_T_max  0.9320
_exptl_absorpt_correction_T_min  0.7880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2878
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.104
_refine_diff_density_min         -1.008
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     925
_refine_ls_number_reflns         13325
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1350
_refine_ls_R_factor_gt           0.0995
_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^)+(0.1834P)^2^+13.9817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2849
_refine_ls_wR_factor_ref         0.3091
_reflns_number_gt                8678
_reflns_number_total             13325
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc16800f.txt
_cod_data_source_block           1
_cod_original_cell_volume        7237(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C66.25 H76.50 Cl6.50 Cu N6 O8'
_cod_database_code               7107463