Crystallography Open Database

Information card for entry 4325363

Preview

Coordinates	4325363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H49 O P3 Rh n
Calculated formula	C49 H49 N O P3 Rh
SMILES	[Rh]12([P](c3c(N2C)cccc3)(c2ccccc2)c2ccccc2)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium
Authors of publication	Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5361 - 5378
a	11.4776 ± 0.0003 Å
b	13.9888 ± 0.0004 Å
c	14.1445 ± 0.0004 Å
α	93.0113 ± 0.0003°
β	105.102 ± 0.0003°
γ	108.5 ± 0.0003°
Cell volume	2056.47 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4325363.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325363.cif
44433	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325363 via cif-deposit CGI script.	4325363.cif