Ln-Pt electron polarization effects on the magnetic relaxation of heterometallic Ho- and Er-Pt complexes.
Yoshida, Takefumi; Izuogu, David C.; Zhang, Hai-Tao; Cosquer, Goulven; Abe, Hitoshi; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Yamashita, Masahiro; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7144–7149; doi:10.1039/c8dt03338b

data_7047504
_publ_section_title
;
 Ln-Pt electron polarization effects on the magnetic relaxation of
 heterometallic Ho- and Er-Pt complexes.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7144
_journal_page_last               7149
_journal_paper_doi               10.1039/c8dt03338b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C24 H40 Ho2 O14 Pt3 S12'
_chemical_formula_weight         1852.41
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-05 deposited with the CCDC.
2018-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                83.1550(10)
_cell_angle_beta                 73.837(2)
_cell_angle_gamma                76.1450(10)
_cell_formula_units_Z            1
_cell_length_a                   8.4429(5)
_cell_length_b                   11.7813(7)
_cell_length_c                   12.7014(7)
_cell_measurement_reflns_used    5748
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      56.64
_cell_measurement_theta_min      4.75
_cell_volume                     1176.27(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.5
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker PHOTON 100 CMOS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9357
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.372
_diffrn_reflns_theta_min         1.672
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    12.798
_exptl_absorpt_correction_T_max  0.5670
_exptl_absorpt_correction_T_min  0.2200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, G. M. (1996) 
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.615
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.552
_refine_diff_density_min         -1.996
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5713
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0409P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0786
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4879
_reflns_number_total             5713
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03338b2.cif
_cod_data_source_block           180104HoPtSAc2_0m_a
_cod_depositor_comments
'Adding full bibliography for 7047503--7047504.cif.'
_cod_database_code               7047504
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.220
_shelx_estimated_absorpt_t_max   0.567
_shelx_res_checksum              26462