Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions
Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander; CrystEngComm  (2020) –; doi:10.1039/D0CE00611D

data_7240629
_publ_section_title
;
 Investigation of the Slow Relaxation of the Magnetization Dynamics in
 Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene
 Interactions
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00611D
_journal_year                    2020
_chemical_formula_moiety         'C64 H96 Dy K N4 O2'
_chemical_formula_sum            'C64 H96 Dy K N4 O2'
_chemical_formula_weight         1155.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-02 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.2020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.98330(10)
_cell_length_b                   27.4951(3)
_cell_length_c                   20.5502(2)
_cell_measurement_reflns_used    38820
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.3210
_cell_measurement_theta_min      3.2770
_cell_volume                     6142.41(11)
_computing_cell_refinement       'CrysAlis Pro 1.171.37.35'
_computing_data_collection       'CrysAlis Pro 1.171.37.35'
_computing_data_reduction        'CrysAlis Pro 1.171.37.35'
_computing_structure_refinement  'SHELXL 2018/3'
_computing_structure_solution    'SHELXT 2014/5'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku OD Xcalibur (CCD)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            174348
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.034
_diffrn_reflns_theta_min         3.024
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis Pro 1.171.37.35. Empirical absorption correction using
spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_description       prism
_exptl_crystal_F_000             2436
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.543
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     972
_refine_ls_number_reflns         17942
_refine_ls_number_restraints     1364
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0313
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+2.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0693
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13518
_reflns_number_total             17942
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce00611d2.cif
_cod_data_source_block           dydadme2kthf2
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7240629
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.691
_shelx_estimated_absorpt_t_max   0.777
_shelx_res_checksum              12890