Triple responsive room temperature luminescence, photochromism and photomagnetism in a Dy(III)-based linear chain complex
Wang, Guo-Ming; Wei, Wu-Ji; Zhang, Qian; Li, Qi; Chen, Yao-Yao; Gao, Pei; Li, Wei; Hu, Ji-Xiang; CrystEngComm  (2020) –; doi:10.1039/D0CE01268H

data_7241333
_publ_section_title
;
 Triple responsive room temperature luminescence, photochromism and
 photomagnetism in a Dy(III)-based linear chain complex
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE01268H
_journal_year                    2020
_chemical_formula_sum            'C50 H64 Dy2 N6 O32 P8'
_chemical_formula_weight         1833.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-08-23 deposited with the CCDC.	2020-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                96.169(4)
_cell_angle_beta                 96.545(4)
_cell_angle_gamma                105.325(5)
_cell_formula_units_Z            2
_cell_length_a                   10.3969(6)
_cell_length_b                   18.2975(9)
_cell_length_c                   19.3503(8)
_cell_measurement_reflns_used    9472
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.6130
_cell_measurement_theta_min      2.5300
_cell_volume                     3490.6(3)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19376
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.581
_exptl_absorpt_coefficient_mu    2.398
_exptl_absorpt_correction_T_max  0.787
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             1828
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.976
_refine_diff_density_min         -1.581
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     854
_refine_ls_number_reflns         12281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0367P)^2^+4.6291P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.0952
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9429
_reflns_number_total             12281
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce01268h2.cif
_cod_data_source_block           1
_cod_database_code               7241333
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              37572
_shelx_fab_checksum              22601