Crystallography Open Database

Information card for entry 4325892

Preview

Coordinates	4325892.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)
Formula	C6 H8 Cl4 N4 Os
Calculated formula	C6 H8 Cl4 N4 Os
SMILES	c1[n]([nH]cc1)[Os](Cl)(Cl)([n]1ccc[nH]1)(Cl)Cl
Title of publication	En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]
Authors of publication	Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7690 - 7697
a	6.511 ± 0.0004 Å
b	7.1695 ± 0.0005 Å
c	7.4983 ± 0.0005 Å
α	115.562 ± 0.005°
β	110.932 ± 0.004°
γ	92.719 ± 0.004°
Cell volume	286.36 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179361 (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 4/32/58.	4325892.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325892.cif
46928	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325892 via cif-deposit CGI script.	4325892.cif