Crystallography Open Database

Information card for entry 7216867

Preview

Coordinates	7216867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 Cl F6 N3 Ru Sb
Calculated formula	C30 H31 Cl F6 N3 Ru Sb
SMILES	[Ru]123456(Cl)([n]7ccccc7C7=[N]1[C@H]([C@@H](N7C)c1ccccc1)c1ccccc1)[c]1([cH]2[c]3([cH]4[c]5([cH]61)C)C)C.[Sb](F)(F)(F)([F-])(F)F
Title of publication	Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis
Authors of publication	Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2001
Journal issue	13
Pages of publication	1500
a	8.566 ± 0.003 Å
b	17.569 ± 0.008 Å
c	20.345 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3061.8 ± 1.9 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	7
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	0.0615
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216867.cif
118531	2014-06-30	cif/ Adding structures of 7216866, 7216867 via cif-deposit CGI script.	7216867.cif