Crystallography Open Database

Information card for entry 7709747

Preview

Coordinates	7709747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Cl2 F6 N4 O2 P Ru
Calculated formula	C34 H36 Cl2 F6 N4 O2 P Ru
SMILES	[Ru]123(Oc4ccc(Cl)cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(Cl)ccc2O1)([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccc(Cl)cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cc(Cl)ccc2O1)([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Facile C-N Bond Cleavage of Primary Aliphatic Amines by (Salen)ruthenium(VI) Nitrido Complexes
Authors of publication	Pan, Yunling; Cheng, Lin; Yi, PAN; Man, Wai-Lun; Yiu, Shek-Man; Xie, Jianhui; LAU, Kai Chung; Lau, Tai-Chu
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.7212 ± 0.0002 Å
b	16.1974 ± 0.0002 Å
c	24.1947 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6944.78 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
273686 (current)	2022-03-15	cif/ Adding structures of 7709747 via cif-deposit CGI script.	7709747.cif