Crystallography Open Database

Information card for entry 4068721

Preview

Coordinates	4068721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H52 Cl3 F6 N2 Os P3
Calculated formula	C23 H52 Cl3 F6 N2 Os P3
SMILES	[OsH2]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
Title of publication	Behavior of OsH2Cl2(PiPr3)2in Acetonitrile: The Importance of the Small Details
Authors of publication	Esteruelas, Miguel A.; Fuertes, Sara; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1582
a	12.007 ± 0.003 Å
b	12.305 ± 0.003 Å
c	12.584 ± 0.003 Å
α	96.562 ± 0.004°
β	96.045 ± 0.004°
γ	111.462 ± 0.003°
Cell volume	1697.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0275
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178577 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/87.	4068721.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068721.cif
39944	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068721, 4068722 via cif-deposit CGI script.	4068721.cif