Slow magnetic relaxation in Dy<sub>2</sub> and Dy<sub>4</sub> complexes of a versatile, trifunctional polydentate N,O-ligand.
Anwar, Muhammad U.; Al-Harrasi, Ahmed; Rawson, Jeremy M.; Gavey, Emma L.; Regier, Jeffery; Alexandropoulos, Dimitrios; Pilkington, Melanie; Thompson, Laurence K.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 14269–14278; doi:10.1039/c9dt02331c

data_7701045
_publ_section_title
;
 Slow magnetic relaxation in Dy<sub>2</sub> and Dy<sub>4</sub> complexes
 of a versatile, trifunctional polydentate N,O-ligand.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14269
_journal_page_last               14278
_journal_paper_doi               10.1039/c9dt02331c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C45 H52 Dy2 N14 O23,, 2 (C H4 O), 2 (C4 H10 O)'
_chemical_formula_sum            'C55 H80 Dy2 N14 O27'
_chemical_formula_weight         1694.33
_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     intrinsic
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-22 deposited with the CCDC.    2019-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                92.068(3)
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_cell_angle_gamma                103.792(3)
_cell_formula_units_Z            2
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_cell_length_b                   14.3138(11)
_cell_length_c                   23.9924(17)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.91
_cell_measurement_theta_min      3.10
_cell_volume                     3437.4(4)
_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-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_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       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            73591
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        22.954
_diffrn_reflns_theta_max         22.954
_diffrn_reflns_theta_min         2.866
_diffrn_source                   'fine focus sealed tube'
_exptl_absorpt_coefficient_mu    2.248
_exptl_absorpt_correction_T_max  0.7448
_exptl_absorpt_correction_T_min  0.6451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_description       plate
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.148
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     910
_refine_ls_number_reflns         9481
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0157P)^2^+10.8509P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0576
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8535
_reflns_number_total             9481
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02331c2.cif
_cod_data_source_block           MUADy2
_cod_depositor_comments
'Adding full bibliography for 7701043--7701045.cif.'
_cod_database_code               7701045
_shelx_shelxl_version_number     2014/7
_exptl_absorpt_special_details
;
SADABS 2012/1 Bruker AXS Madison WI USA
;
_shelx_res_checksum              67405