Crystallography Open Database

Information card for entry 4325894

Preview

Coordinates	4325894.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)-cucurbit[7]uril hydrate
Formula	C48 H72.5 Cl4 N32 O25.25 Os
Calculated formula	C48 H58 Cl4 N32 O25.25 Os
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	31.5673 ± 0.0009 Å
b	16.9392 ± 0.0006 Å
c	14.3896 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7694.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325894.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325894.cif
46930	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325894 via cif-deposit CGI script.	4325894.cif