Crystallography Open Database

Information card for entry 7011473

Preview

Coordinates	7011473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cl2 N2 P Rh
Calculated formula	C32 H34 Cl2 N2 P Rh
SMILES	[Rh]1234(Cl)(Cl)([P](c5ccccc5)(c5ccccc5)CNc5c6c(ccc5)cccn6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Co-ordination chemistry and metal catalysed carbonylation reactions using 8-(diphenylphosphino)methylaminoquinoline: a ligand that displays monodentate, bidentate and tridentate co-ordination modes
Authors of publication	Matthew L. Clarke; David J. Cole-Hamilton; Douglas F. Foster; Alexandra M. Z. Slawin; J. Derek Woollins
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	8
Pages of publication	1618 - 1624
a	21.779 ± 0.002 Å
b	8.4708 ± 0.0008 Å
c	16.3038 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3007.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	0.912
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
179818 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/14.	7011473.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011473.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011473.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7011473.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011473.cif