Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of stilbene derivative co-coordinated in di-β-diketonate lanthanide complexes.
Chen, Lu; Tan, Yu; Xu, Han; Wang, Kun; Chen, Zhou-Hui; Zheng, Nuan; Li, Yu-Qian; Lin, Li-Rong; Dalton transactions (Cambridge, England : 2003) 49 (2020) 16745–16761; doi:10.1039/d0dt03383a

data_7705839
_publ_section_title
;
 Enhanced <i>E</i>/<i>Z</i>-photoisomerization and luminescence of
 stilbene derivative co-coordinated in di-\b-diketonate lanthanide
 complexes.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16745
_journal_page_last               16761
_journal_paper_doi               10.1039/d0dt03383a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C49 H35 F9 La N4 O7'
_chemical_formula_sum            'C49 H35 F9 La N4 O7'
_chemical_formula_weight         1101.72
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-09-17 deposited with the CCDC.	2020-11-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.155(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.490(4)
_cell_length_b                   9.7512(16)
_cell_length_c                   19.335(3)
_cell_measurement_reflns_used    5970
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      22.31
_cell_measurement_theta_min      2.25
_cell_volume                     4530.1(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1192
_diffrn_reflns_av_unetI/netI     0.1167
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.939
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39319
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.939
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.525
_diffrn_reflns_theta_min         1.695
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.038
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.830
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2204
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.585
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.841
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         10795
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.843
_refine_ls_R_factor_all          0.1046
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0622P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1205
_refine_ls_wR_factor_ref         0.1338
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5761
_reflns_number_total             10795
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03383a2.cif
_cod_data_source_block           y
_cod_original_cell_volume        4530.2(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705839
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.819
_shelx_estimated_absorpt_t_max   0.860
_shelx_res_checksum              9527