Crystallography Open Database

Information card for entry 1519069

1519068 << 1519069 >> 1519070

Preview

Coordinates	1519069.cif

Structure parameters

Formula	C35 H28 Cl N2 O P2 Rh
Calculated formula	C35 Cl N2 O P2 Rh
SMILES	[Rh](Cl)([P](c1ccccc1)(c1cnccc1)c1ccccc1)([P](c1ccccc1)(c1cnccc1)c1ccccc1)C#[O]
Title of publication	Reactions of 3-Pyridyldiphenylphosphine with Rh2(CO)4Cl2 and Co2(CO)8. Crystallographic and Catalytic Studies of Rh(CO)Cl(3-PyPPh2)2.
Authors of publication	Laitinen, Riitta H.; Soininen, Jaakko; Suomalainen, Pekka; Pakkanen, Tapani A.; Ahlgren, Markku; Pursiainen, Jouni
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	335 - 339
a	11.677 ± 0.003 Å
b	23.536 ± 0.007 Å
c	12.215 ± 0.003 Å
α	90°
β	112.13 ± 0.02°
γ	90°
Cell volume	3109.7 ± 1.5 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0898
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519069.cif
135331	2015-04-22	cif/ Adding structures of 1519069 via cif-deposit CGI script.	1519069.cif