Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed from a novel tetrazine-centered hydrazone Schiff base ligand.
Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 2471–2478; doi:10.1039/c6dt04413a

data_7041931
_publ_section_title
;
 Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed
 from a novel tetrazine-centered hydrazone Schiff base ligand.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2471
_journal_page_last               2478
_journal_paper_doi               10.1039/c6dt04413a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety
'C80 H96 Gd4 N32 O24, 4(N O3), 8.19(C H4 O), 0.91(H2 O)'
_chemical_formula_sum            'C88.19 H130.58 Gd4 N36 O45.1'
_chemical_formula_weight         3045.74
_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
;
2017-01-10 deposited with the CCDC.
2017-01-16 downloaded from the CCDC.
;
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.30
_cell_measurement_theta_min      2.27
_cell_volume                     3020.17(16)
_computing_cell_refinement       'APEX II (Bruker, 2009)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16741
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_exptl_crystal_colour            black
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0623P)^2^+1.6458P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7396
_reflns_number_total             10839
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04413a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7041930--7041932.cif.'
_cod_original_cell_volume        3020.17(15)
_cod_original_formula_sum        'C88.19 H130.58 Gd4 N36 O45.10'
_cod_database_code               7041931
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_shelx_estimated_absorpt_t_max   0.839
_shelx_res_checksum              92972