Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.
Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan; Dalton transactions (Cambridge, England : 2003) 47 (2018) 1726–1738; doi:10.1039/c7dt00172j

data_7044986
_publ_section_title
;
 Effect of coordination geometry on the magnetic properties of a series of
 Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1726
_journal_page_last               1738
_journal_paper_doi               10.1039/c7dt00172j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C98 H106 Gd2 N4 O26'
_chemical_formula_sum            'C98 H106 Gd2 N4 O26'
_chemical_formula_weight         2070.36
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-17 deposited with the CCDC.
2017-12-07 downloaded from the CCDC.
;
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_cell_volume                     2366.70(18)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_av_R_equivalents  0.0424
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_exptl_absorpt_correction_T_min  0.7782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0209P)^2^+1.7776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             10960
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt00172j2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7044982--7044987.cif.'
_cod_database_code               7044986
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