Crystallography Open Database

Information card for entry 7007568

Preview

Coordinates	7007568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H28 Cl2 P2 Pt
Calculated formula	C21 H28 Cl2 P2 Pt
Title of publication	Allosteric effects in asymmetric hydrogenation catalysis? Asymmetric induction as a function of the substrate and the backbone flexibility of C1-symmetric diphosphines in rhodium-catalysed hydrogenations.
Authors of publication	Baber, Angharad; de Vries, Johannes G.; Orpen, A. Guy; Pringle, Paul G.; von der Luehe, Karl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	40
Pages of publication	4821 - 4828
a	8.9411 ± 0.0011 Å
b	11.7365 ± 0.0014 Å
c	11.1592 ± 0.0014 Å
α	90°
β	106.754 ± 0.002°
γ	90°
Cell volume	1121.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7007568.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007568.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007568.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007568.cif