Crystallography Open Database

Information card for entry 4132437

Preview

Coordinates	4132437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 B2 F8 Fe N
Calculated formula	C14 H20 B2 F8 Fe N
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C[N+](C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.
Authors of publication	Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	32
Pages of publication	10169 - 10178
a	18.8753 ± 0.0007 Å
b	10.9829 ± 0.0004 Å
c	8.5634 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1775.24 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242421 (current)	2019-11-26	cif/ Adding structures of 4132437 via cif-deposit CGI script.	4132437.cif