Crystallography Open Database

Information card for entry 1506454

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Coordinates	1506454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 F6 N2 P Ru
Calculated formula	C16 H17 F6 N2 P Ru
SMILES	[Ru]123456([N]#CC)([NH2][C@H](C)c7c1cccc7)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation.
Authors of publication	Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	7
Pages of publication	1247 - 1250
a	9.2385 ± 0.0002 Å
b	12.0517 ± 0.0003 Å
c	16.415 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1827.64 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections	3.376
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1506454.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506454.cif
50324	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506454 via cif-deposit CGI script.	1506454.cif