A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes.
Phan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latévi M; Shatruk, Michael; Journal of the American Chemical Society 139 (2017) 6437–6447; doi:10.1021/jacs.7b02098

data_4126176
_publ_section_title
;
 A Simple Approach for Predicting the Spin State of Homoleptic Fe(II)
 Tris-diimine Complexes.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6437
_journal_page_last               6447
_journal_paper_doi               10.1021/jacs.7b02098
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C44 H39 Cl2 Fe N7 O8'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_diffrn_ambient_temperature      230(2)
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_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       'profile data from \w scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0752P)^2^+2.6304P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block
;
;
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