A propeller-shaped μ4-carbonate hexanuclear dysprosium complex with a high energetic barrier to magnetisation relaxation.
Holmberg, Rebecca J.; Kuo, Che-Jung; Gabidullin, Bulat; Wang, Chia-Wei; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng; Dalton transactions (Cambridge, England : 2003) 45 (2016) 16769–16773; doi:10.1039/c6dt02873j

data_7040702
_publ_section_title
;
 A propeller-shaped \m4-carbonate hexanuclear dysprosium complex with a
 high energetic barrier to magnetisation relaxation.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16769
_journal_page_last               16773
_journal_paper_doi               10.1039/c6dt02873j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C64 H105 Cl5 Dy6 N12 O37'
_chemical_formula_weight         2786.84
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-07-08 deposited with the CCDC.
2016-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                89.548(2)
_cell_angle_beta                 63.7450(10)
_cell_angle_gamma                61.7570(10)
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_cell_length_b                   18.8622(5)
_cell_length_c                   19.5276(5)
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.04
_cell_measurement_theta_min      2.41
_cell_volume                     5155.8(3)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.1146
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_number            103315
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_exptl_absorpt_coefficient_mu    4.501
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_exptl_absorpt_correction_T_min  0.525510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_description       block
_exptl_crystal_F_000             2700
_exptl_crystal_preparation       ', Magnetic properties'
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_refine_ls_R_factor_all          0.1288
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_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0546P)^2^+79.5507P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1518
_refine_ls_wR_factor_ref         0.1834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                66421
_reflns_number_total             103315
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt02873j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7040702.cif.'
_cod_original_cell_volume        5155.8(2)
_cod_database_code               7040702
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              90629