Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.
Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis; Dalton transactions (Cambridge, England : 2003) 50 (2021) 12517–12527; doi:10.1039/d1dt00510c

data_7707892
_publ_section_title
;
 Synthesis, characterization, magnetism and theoretical analysis of
 hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane
 assemblies.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12517
_journal_page_last               12527
_journal_paper_doi               10.1039/d1dt00510c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C64 H68 Gd2 N2 Ni2 O20, 2(CH3OH)'
_chemical_formula_sum            'C66 H76 Gd2 N2 Ni2 O22'
_chemical_formula_weight         1681.20
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-02-11 deposited with the CCDC.	2021-07-26 downloaded from the CCDC.
;
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_computing_data_reduction        'SAINT V8.38A (?, 2016)'
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_diffrn_measurement_device_type  'Bruker SMART APEX-II'
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1044P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5501
_reflns_number_total             9271
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7707892--7707895.cif.'
_cod_database_code               7707892
_shelx_shelxl_version_number     2014/7
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