Crystallography Open Database

Information card for entry 7000170

Preview

Coordinates	7000170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Cl2 O2 P4 Rh2
Calculated formula	C24 H44 Cl2 O2 P4 Rh2
SMILES	[Rh]1([P]2(CCCC2)CCC[P]2([Rh]([P]3(CCCC3)CCC[P]31CCCC3)(Cl)C#[O])CCCC2)(Cl)C#[O]
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	11.7519 ± 0.0007 Å
b	11.9472 ± 0.0007 Å
c	22.4102 ± 0.0013 Å
α	90°
β	91.122 ± 0.001°
γ	90°
Cell volume	3145.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.0708
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
179679 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/01.	7000170.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000170.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000170.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000170.cif