Crystallography Open Database

Information card for entry 7113749

Preview

Coordinates	7113749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H56 Cl3 Fe N2 P2 Ru
Calculated formula	C47 H56 Cl3 Fe N2 P2 Ru
Title of publication	A ruthenium catalyst that does not require an N‒H ligand to achieve high enantioselectivity for hydrogenation of an alkyl-aryl ketone
Authors of publication	Leong, Carolyn G.; Akotsi, Okwado M.; Ferguson, Michael J.; Bergens, Steven H.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	6
Pages of publication	750 - 751
a	22.663 ± 0.003 Å
b	13.305 ± 0.0015 Å
c	14.5132 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4376.2 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104022
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210654 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7104022, 7113749. Marking entry 7113749 as a duplicate of entry 7104022.	7113749.cif
180251	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/37.	7113749.cif
115241	2014-06-02	cif/ Adding structures of 7113749 via cif-deposit CGI script.	7113749.cif