Heterometallic hexanuclear Ni<sub>4</sub>M<sub>2</sub> (M = Dy, Y) complexes: structure and single-molecule magnet for the Dy(iii) derivative.
Pei, Shaomin; Hu, Zhaobo; Chen, Zilu; Yu, Shui; Li, Bo; Liang, Yuning; Liu, Dongcheng; Yao, Di; Liang, Fupei; Dalton transactions (Cambridge, England : 2003) 47 (2018) 1801–1807; doi:10.1039/c7dt04003b

data_7045262
_publ_section_title
;
 Heterometallic hexanuclear Ni<sub>4</sub>M<sub>2</sub> (M = Dy, Y)
 complexes: structure and single-molecule magnet for the Dy(iii)
 derivative.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1801
_journal_page_last               1807
_journal_paper_doi               10.1039/c7dt04003b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C28 H62 N8 Ni4 O22 Y2, H2 O'
_chemical_formula_sum            'C28 H64 N8 Ni4 O23 Y2'
_chemical_formula_weight         1293.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-10-17 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;
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_cell_volume                     4626.1(4)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0341
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1998)'
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0270P)^2^+6.3121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3456
_reflns_number_total             4084
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04003b2.cif
_cod_data_source_block           AAAA
_cod_depositor_comments
'Adding full bibliography for 7045261--7045262.cif.'
_cod_database_code               7045262
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