Crystallography Open Database

Information card for entry 4325896

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Coordinates	4325896.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-tetrachlorido-bis(benzimidazole)osmium(IV)
Formula	C14 H12 Cl4 N4 Os
Calculated formula	C14 H12 Cl4 N4 Os
SMILES	c1[n](c2c(cccc2)[nH]1)[Os](Cl)([n]1c[nH]c2ccccc12)(Cl)(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	9.8508 ± 0.0003 Å
b	12.1309 ± 0.0004 Å
c	6.9496 ± 0.0002 Å
α	90°
β	108.036 ± 0.002°
γ	90°
Cell volume	789.66 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	4325896.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325896.cif
46932	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325896 via cif-deposit CGI script.	4325896.cif