Mechanical grinding of a single-crystalline metal-organic framework triggered emission with tunable violet-to-orange luminescence
Jian-Ke Sun; Cheng Chen; Li-Xuan Cai; Cai-Xia Ren; Bin Tan; Jie Zhang; Chem.Commun. 50 (2014) 15956–; doi:10.1039/C4cc08316D

data_7116140
_publ_section_title
;
 Mechanical grinding of a single-crystalline metal-organic framework
 triggered emission with tunable violet-to-orange luminescence
;
_journal_name_full               Chem.Commun.
_journal_page_first              15956
_journal_paper_doi               10.1039/C4cc08316D
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C42 H71 Eu N3 O29.5 S'
_chemical_formula_sum            'C42 H71 Eu N3 O29.5 S'
_chemical_formula_weight         1274.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   17.6479(13)
_cell_length_b                   17.6479(13)
_cell_length_c                   31.002(2)
_cell_measurement_reflns_used    2348
_cell_measurement_temperature    106.8(5)
_cell_measurement_theta_max      66.9956
_cell_measurement_theta_min      3.2212
_cell_volume                     8361.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      106.8(5)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       '\w 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  0.0828
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            11017
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    1.254
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45535
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3954
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_platon_squeeze_details          ' ?'
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.910
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         3270
_refine_ls_number_restraints     642
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1333
_refine_ls_R_factor_gt           0.0981
_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^)+(0.0600P)^2^+50.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2244
_refine_ls_wR_factor_ref         0.2430
_reflns_number_gt                1632
_reflns_number_total             3270
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc08316d2.cif
_cod_data_source_block           EuBpebc-SJK
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               7116140