Crystallography Open Database

Information card for entry 7007567

Preview

Coordinates	7007567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl2 P2 Pt
Calculated formula	C20 H26 Cl2 P2 Pt
SMILES	[Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]21[C@@H](CC[C@H]2C)C)(Cl)Cl
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	8.8106 ± 0.0011 Å
b	13.7761 ± 0.0017 Å
c	9.1967 ± 0.0011 Å
α	90°
β	108.001 ± 0.002°
γ	90°
Cell volume	1061.6 ± 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
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0653
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.	7007567.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007567.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007567.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007567.cif