The slow magnetic relaxation regulated by the coordination, configuration and intermolecular dipolar field in two mononuclear Dy<sup>III</sup> single-molecule magnets (SMMs).
Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Zhang, Gaini; Yang, Desuo; Lü, Xingqiang; Chen, Sanping; Dalton transactions (Cambridge, England : 2003) 47 (2018) 12393–12405; doi:10.1039/c8dt02361a

data_7047236
_publ_section_title
;
 The slow magnetic relaxation regulated by the coordination, configuration
 and intermolecular dipolar field in two mononuclear Dy<sup>III</sup>
 single-molecule magnets (SMMs).
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12393
_journal_page_last               12405
_journal_paper_doi               10.1039/c8dt02361a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C42 H27 Cl3 Dy F9 N2 O6'
_chemical_formula_weight         1095.50
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-07-23 deposited with the CCDC.
2018-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                94.855(7)
_cell_angle_beta                 104.522(7)
_cell_angle_gamma                109.539(7)
_cell_formula_units_Z            2
_cell_length_a                   11.3469(8)
_cell_length_b                   13.3777(10)
_cell_length_c                   18.6857(17)
_cell_measurement_reflns_used    2569
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      58.6950
_cell_measurement_theta_min      3.5850
_cell_volume                     2543.1(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_unetI/netI     0.1306
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16360
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.245
_diffrn_reflns_theta_max         67.245
_diffrn_reflns_theta_min         2.485
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    9.977
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53993
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_description       block
_exptl_crystal_F_000             1078
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       0.00072(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   0.879
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         9101
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.879
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0669
_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^)+(0.0902P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1588
_refine_ls_wR_factor_ref         0.1997
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5460
_reflns_number_total             9101
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02361a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7047236--7047237.cif.'
_cod_original_cell_volume        2543.2(4)
_cod_database_code               7047236
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.502
_shelx_estimated_absorpt_t_max   0.542
_shelx_res_checksum              28277
_shelx_fab_checksum              36786