Crystallography Open Database

Information card for entry 7114258

Preview

Coordinates	7114258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 F6 Ir N2 P2
Calculated formula	C25 H47 F6 Ir N2 P2
Title of publication	Catalytic olefin hydrogenation using N-heterocyclic carbene‒phosphine complexes of iridium
Authors of publication	Vázquez-Serrano, Leslie D.; Owens, Bridget T.; Buriak, Jillian M.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	21
Pages of publication	2518 - 2519
a	13.9526 ± 0.0002 Å
b	9.8549 ± 0.0002 Å
c	21.4354 ± 0.0004 Å
α	90°
β	99.131 ± 0.001°
γ	90°
Cell volume	2910.05 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114258.cif
132251	2015-02-22	cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7114258.	7114258.cif
116646	2014-06-13	cif/ Adding structures of 7114258 via cif-deposit CGI script.	7114258.cif