From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets.
Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C; Inorganic chemistry 53 (2014) 5878–5880; doi:10.1021/ic500418e

data_1516250
_publ_section_title
;
 From serendipitous assembly to controlled synthesis of 3d-4f
 single-molecule magnets.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5878
_journal_page_last               5880
_journal_paper_doi               10.1021/ic500418e
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         '[C6H16N]3, [C138 H192 O33 Mn6 Tb]'
_chemical_formula_sum            'C156 H240 Mn6 N3 O33 Tb'
_chemical_formula_weight         3176.03
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_computing_data_reduction        APEXII_SAINT
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_diffrn_ambient_temperature      101(2)
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_diffrn_measurement_device_type  'Bruker Smart APEX II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Mo microsource'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -38
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_exptl_absorpt_correction_T_min  0.5916
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            BROWN
_exptl_crystal_density_diffrn    1.056
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.724
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_refine_ls_number_restraints     221
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1053
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0999P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
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_reflns_number_gt                12611
_reflns_number_total             20913
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1516250--1516252.cif.'
_cod_database_code               1516250
_shelxl_version_number           2013-4
_shelx_res_checksum              43824
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