A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2 and CH2Cl2, MeCN: [Ce(Im)3ImH]·ImH.
Meyer, L. V.; Schönfeld, F; Zurawski, A.; Mai, M.; Feldmann, C.; Müller-Buschbaum, K; Dalton transactions (Cambridge, England : 2003) 44 (2015) 4070–4079; doi:10.1039/c4dt03578j

data_7033647
_publ_section_title
;
 A blue luminescent MOF as a rapid turn-off/turn-on detector for H2O, O2
 and CH2Cl2, MeCN: [Ce(Im)3ImH]&#x00B7;ImH.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4070
_journal_page_last               4079
_journal_paper_doi               10.1039/c4dt03578j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C15 H17 Ce N10'
_chemical_formula_weight         477.51
_chemical_name_common            Di-imidazolo-cerium-tri-imidazolate
_chemical_name_systematic
'{(mue-1,2)-tri-imidazolato-imidazolo-  cerium(III)}-imidazole'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-07 deposited with the CCDC.
2015-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   23.253(5)
_cell_length_b                   14.024(3)
_cell_length_c                   23.455(5)
_cell_measurement_temperature    140(2)
_cell_volume                     7287(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0623
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            77635
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    2.520
_exptl_absorpt_correction_T_max  0.04024
_exptl_absorpt_correction_T_min  0.01728
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE Xshape v1.05'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3760
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.404
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     989
_refine_ls_number_reflns         22006
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0723P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1167
_reflns_number_gt                17400
_reflns_number_total             22006
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03578j2.cif
_cod_data_source_block           Ce-imidazolate
_cod_depositor_comments          'Adding full bibliography for 7033647.cif.'
_cod_original_cell_volume        7288(3)
_cod_original_sg_symbol_H-M      'p 21/n'
_cod_database_code               7033647