Crystallography Open Database

Information card for entry 4081949

4081948 << 4081949 >> 4081950

Preview

Coordinates	4081949.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CF3-PCP)Os(cod)H
Formula	C20 H20 F12 Os P2
Calculated formula	C20 H20 F12 Os P2
SMILES	[OsH]12345([P](Cc6c2c(ccc6)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)[CH]1=[CH]3CC[CH]4=[CH]5CC1
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	12.2665 ± 0.0001 Å
b	12.9348 ± 0.0002 Å
c	14.289 ± 0.0001 Å
α	90°
β	93.041 ± 0.001°
γ	90°
Cell volume	2263.97 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0453
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081949.cif
91815	2013-12-13	cif/ Adding structures of 4081946, 4081947, 4081948, 4081949 via cif-deposit CGI script.	4081949.cif