Crystallography Open Database

Information card for entry 1508457

Preview

Coordinates	1508457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Cl5 N O Os S24
Calculated formula	C30 H24 Cl5 N O Os S24
Title of publication	Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''"-(BEDT-TTF)3[OsNOCl5]
Authors of publication	Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	627 - 642
a	7.6672 ± 0.0008 Å
b	9.8657 ± 0.0011 Å
c	17.9733 ± 0.0012 Å
α	91.151 ± 0.009°
β	93.636 ± 0.007°
γ	102.434 ± 0.009°
Cell volume	1324.2 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508457.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508457.cif
69283	2012-12-07	cif/ Adding structures of 1508457 via cif-deposit CGI script.	1508457.cif