Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.
Orts-Arroyo, Marta; Castro, Isabel; Lloret, Francesc; Martínez-Lillo, José; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9155–9163; doi:10.1039/d0dt01126f

data_7704662
_publ_section_title
;
 Field-induced slow relaxation of magnetisation in two one-dimensional
 homometallic dysprosium(iii) complexes based on alpha- and beta-amino
 acids.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9155
_journal_page_last               9163
_journal_paper_doi               10.1039/d0dt01126f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         C12H38N6O16Dy2,6(ClO4),5(H2O)
_chemical_formula_sum            'C12 H48 Cl6 Dy2 N6 O45'
_chemical_formula_weight         1534.26
_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-2017/1
_audit_update_record
;
2020-05-15 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                96.431(2)
_cell_angle_beta                 102.599(2)
_cell_angle_gamma                106.044(2)
_cell_formula_units_Z            2
_cell_length_a                   11.3988(6)
_cell_length_b                   13.9723(7)
_cell_length_c                   15.4694(8)
_cell_measurement_reflns_used    126319
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      2.25
_cell_volume                     2271.5(2)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  DIAMOND
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 'PHOTON II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            126319
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.579
_diffrn_reflns_theta_min         2.245
_exptl_absorpt_coefficient_mu    3.752
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1512
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.061
_exptl_transmission_factor_max   0.78
_exptl_transmission_factor_min   0.54
_refine_diff_density_max         1.353
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         12739
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0213
_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^)+(0.0154P)^2^+3.5251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0509
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10433
_reflns_number_total             12739
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01126f1.cif
_cod_data_source_block           compound_1
_cod_depositor_comments
'Adding full bibliography for 7704662--7704663.cif.'
_cod_original_formula_sum        'C12 H48 N6 O45 Cl6 Dy2'
_cod_database_code               7704662
_shelx_shelxl_version_number     2017/1
_exptl_absorpt_special_details
'SADABS (version 2.03) was used for absorption correction. R(int) was 0.1170 before and 0.0583 after correction. The ratio of minimum to maximum apparent transmission was 0.8728'
_shelx_res_checksum              76796