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Information card for entry 4325038
Preview
Coordinates | 4325038.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H36 I Pt2 S8 |
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Calculated formula | C20 H36 I Pt2 S8 |
Title of publication | On the Nature of the Multiple Ground States of the MMX Mixed-Valence Chain Compound, [PtII/III2(n-PenCS2)4I]\ιnfty |
Authors of publication | Minoru Mitsumi; Takami Yamashita; Yuko Aiga; Koshiro Toriumi; Hiroshi Kitagawa; Tadaoki Mitani; Mohamedally Kurmoo |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4368 - 4377 |
a | 13.6271 ± 0.0015 Å |
b | 13.6271 ± 0.0015 Å |
c | 8.6043 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1597.8 ± 0.3 Å3 |
Cell temperature | 350 ± 1 K |
Ambient diffraction temperature | 350 ± 1 K |
Number of distinct elements | 5 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.0304 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.055 |
Weighted residual factors for all reflections included in the refinement | 0.0572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179353 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50. |
4325038.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325038.cif |
43490 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325038 via cif-deposit CGI script. |
4325038.cif |
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Users of the data should acknowledge the original authors of the
structural data.