Crystallography Open Database

Information card for entry 4111727

Preview

Coordinates	4111727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 P2 Ru
Calculated formula	C36 H40 P2 Ru
SMILES	[RuH]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)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	15.7131 ± 0.0012 Å
b	15.8159 ± 0.0012 Å
c	12.8624 ± 0.0009 Å
α	90°
β	101.421 ± 0.002°
γ	90°
Cell volume	3133.2 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
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	0.0499
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4111727.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111727.cif
63331	2012-07-26	cif/ Adding structures of 4111727 via cif-deposit CGI script.	4111727.cif