Crystallography Open Database

Information card for entry 4081948

4081947 << 4081948 >> 4081949

Preview

Coordinates	4081948.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CF3-PCP)Os(CO)2H
Formula	C14 H8 F12 O2 Os P2
Calculated formula	C14 H8 F12 O2 Os P2
SMILES	[OsH]12([P](Cc3c2c(ccc3)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C#[O])C#[O]
Title of publication	Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)
Authors of publication	Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6468
a	7.4054 ± 0.0003 Å
b	19.2132 ± 0.0008 Å
c	13.8511 ± 0.0006 Å
α	90°
β	96.834 ± 0.003°
γ	90°
Cell volume	1956.75 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
178708 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/19.	4081948.cif
91815	2013-12-13	cif/ Adding structures of 4081946, 4081947, 4081948, 4081949 via cif-deposit CGI script.	4081948.cif