Crystallography Open Database

Information card for entry 7056165

Preview

Coordinates	7056165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 F12 N17 P2 Ru
Calculated formula	C40 H31 F12 N17 P2 Ru
SMILES	[Ru]1234([n]5c(cccc5c5[n]2nn2ccccc52)c2[n]1nn1ccccc21)[n]1c(cccc1c1[n]4nn2ccccc12)c1[n]3nn2ccccc12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
Title of publication	Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles
Authors of publication	Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén
Journal of publication	New J. Chem.
Year of publication	2017
a	13.4031 ± 0.0003 Å
b	25.5461 ± 0.0005 Å
c	13.0244 ± 0.0003 Å
α	90°
β	91.208 ± 0.002°
γ	90°
Cell volume	4458.52 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
196611 (current)	2017-05-10	cif/ Adding structures of 7056164, 7056165 via cif-deposit CGI script.	7056165.cif