Crystallography Open Database

Information card for entry 4111728

Preview

Coordinates	4111728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 P2 Ru
Calculated formula	C32 H32 P2 Ru
SMILES	[RuH]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[c]5([cH]4[cH]3[cH]21)C
Title of publication	Ruthenium-Catalyzed Ionic Hydrogenation of Iminium Cations. Scope and Mechanism
Authors of publication	Hairong Guan; Masanori Iimura; Matthew P. Magee; Jack R. Norton; Guang Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	7805 - 7814
a	17.6272 ± 0.001 Å
b	11.2434 ± 0.0006 Å
c	13.457 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2667 ± 0.2 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
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	0.0232
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
178888 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/17.	4111728.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111728.cif
63332	2012-07-26	cif/ Adding structures of 4111728 via cif-deposit CGI script.	4111728.cif