Crystallography Open Database

Information card for entry 7112097

7112096 << 7112097 >> 7112098

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Coordinates	7112097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H64 F24 N18 P4 Ru2
Calculated formula	C62 H64 F24 N18 P4 Ru2
SMILES	[Ru]123([n]4c[n]5[Ru]67([n]8ccccc8c8[n]6cccc8)([n]6ccccc6c6[n]7cccc6)[N]6CCCN7CCCN(c5cc4N4CCCN5CCC[N]3=C45)C=67)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
Title of publication	Enhanced stereoselectivity in a di-Ru(II) complex of an achiral bis-bidentate ligand
Authors of publication	Amlan K. Pal; Philippe D. Ducharme; Garry S. Hanan
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3303
a	22.038 ± 0.002 Å
b	14.0363 ± 0.0013 Å
c	25.925 ± 0.003 Å
α	90°
β	112.384 ± 0.002°
γ	90°
Cell volume	7415.2 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7112097.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112097.cif
105505	2014-03-12	cif/ Adding structures of 7112097 via cif-deposit CGI script.	7112097.cif