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_7705842
_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 H36 F9 N4 Nd O7'
_chemical_formula_sum            'C49 H36 F9 N4 Nd O7'
_chemical_formula_weight         1108.06
_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                 100.458(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.6107(4)
_cell_length_b                   9.7759(2)
_cell_length_c                   19.0276(3)
_cell_measurement_reflns_used    10578
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      76.1440
_cell_measurement_theta_min      3.6310
_cell_volume                     4501.84(14)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0429
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31152
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.138
_diffrn_reflns_theta_min         3.653
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.643
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.25339
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Lavender
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_description       block
_exptl_crystal_F_000             2220
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.906
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9307
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0789
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1471P)^2^+7.2665P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2314
_refine_ls_wR_factor_ref         0.2544
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7020
_reflns_number_total             9307
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03383a2.cif
_cod_data_source_block           exp_483
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705842
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.391
_shelx_estimated_absorpt_t_max   0.446
_shelx_res_checksum              85693