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Information card for entry 4335494
Preview
Coordinates | 4335494.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H44 Fe |
---|---|
Calculated formula | C28 Fe |
SMILES | C12([Fe](C34C5C4CC(C3)C5)(C34C5C4CC(C3)C5)C34CC5C(C3)C5C4)CC3C(C2)C3C1 |
Title of publication | Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex |
Authors of publication | Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 8218 - 8227 |
a | 11.771 ± 0.0005 Å |
b | 10.0996 ± 0.0004 Å |
c | 9.7652 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1160.91 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 31 |
Hermann-Mauguin space group symbol | P m n 21 |
Hall space group symbol | P 2ac -2 |
Residual factor for all reflections | 0.1353 |
Residual factor for significantly intense reflections | 0.1339 |
Weighted residual factors for significantly intense reflections | 0.356 |
Weighted residual factors for all reflections included in the refinement | 0.3659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179457 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54. |
4335494.cif |
101424 | 2014-02-13 | cif/ Adding structures of 4335494 via cif-deposit CGI script. |
4335494.cif |
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Users of the data should acknowledge the original authors of the
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