Crystallography Open Database

Information card for entry 4325036

Preview

Coordinates	4325036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 I Pt2 S8
Calculated formula	C24 H29.3333 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	14.2587 ± 0.001 Å
b	14.2587 ± 0.001 Å
c	25.8368 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5252.9 ± 0.6 Å³
Cell temperature	250 ± 1 K
Ambient diffraction temperature	250 ± 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	0.1007
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.2456
Weighted residual factors for all reflections included in the refinement	0.2568
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.5633 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	4325036.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325036.cif
43488	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325036 via cif-deposit CGI script.	4325036.cif