Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.
Xiao, Peng; Wang, Ping; Fan, Ruiqing; Du, Xi; Chen, Wei; Zhang, Huijie; Song, Yang; Yang, Yulin; RSC Adv.  (2016) –; doi:10.1039/C6RA14896D

data_7226375
_publ_section_title
;
 Lanthanide MOFs Constructed Based on a Difunctional Ligand with Bimodal
 Emission and Eu3+ doped Dy3+ Materials: White Emission and Color Tuning.
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA14896D
_journal_year                    2016
_chemical_formula_sum            'C108 H128 Dy4 N24 O41'
_chemical_formula_weight         3068.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-07 deposited with the CCDC.
2016-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                69.051(2)
_cell_angle_beta                 71.145(2)
_cell_angle_gamma                65.014(2)
_cell_formula_units_Z            1
_cell_length_a                   13.6605(10)
_cell_length_b                   15.0103(11)
_cell_length_c                   18.5345(14)
_cell_measurement_reflns_used    12665
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.413
_cell_measurement_theta_min      1.201
_cell_volume                     3149.9(4)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0919
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23316
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.413
_diffrn_reflns_theta_min         1.201
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.436
_exptl_absorpt_correction_T_max  0.54
_exptl_absorpt_correction_T_min  0.48
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.260
_refine_diff_density_max         2.058
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     794
_refine_ls_number_reflns         12665
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1789
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8977
_reflns_number_total             12665
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra14896d2.cif
_cod_data_source_block           x
_cod_database_code               7226375
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.509
_shelx_estimated_absorpt_t_max   0.570
_shelx_res_checksum              28666