Crystallography Open Database

Information card for entry 7000167

Preview

Coordinates	7000167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H23 Cl5 P2 Pt
Calculated formula	C12 H23 Cl5 P2 Pt
SMILES	[Pt]1([P]2(CCCC2)CCC[P]21CCCC2)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size
Authors of publication	Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	202 - 209
a	12.165 ± 0.002 Å
b	12.425 ± 0.003 Å
c	12.614 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1906.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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.	7000167.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000167.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000167.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000167.cif