Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.
Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis; Inorganic chemistry 55 (2016) 9537–9548; doi:10.1021/acs.inorgchem.6b00508

data_4347710
_publ_section_title
;
 Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets:
 Solid-State Effects.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9537
_journal_page_last               9548
_journal_paper_doi               10.1021/acs.inorgchem.6b00508
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C24 H56 Co1 N2 P4 Se4'
_chemical_formula_sum            'C24 H56 Co N2 P4 Se4'
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_space_group_name_Hall           '-P 1'
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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  1 omega   58.00  107.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega   -2.00  102.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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  3 omega   46.00   72.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521 -179.0000   60.0000 26

  4 omega   -4.00   35.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521   83.0000 -145.0000 39

  5 omega  -15.00   72.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521  -99.0000  -60.0000 87

  6 omega  -41.00  105.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521    0.0000  -60.0000 146

  7 omega   34.00  110.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521  179.0000 -120.0000 76

  8 omega    6.00  100.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521   57.0000  -90.0000 94

  9 omega  -41.00   54.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521  -57.0000 -120.0000 95

 10 omega    6.00  100.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       29.8521   57.0000   60.0000 94

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            'dark intense blue'
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'w=1/[\s^2^(Fo^2^)+(0.0280P)^2^+0.1465P] where P=(Fo^2^+2Fc^2^)/3'
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