Crystallography Open Database

Information card for entry 4132436

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Coordinates	4132436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 F6 Fe N P
Calculated formula	C14 H20 F6 Fe N P
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	9.842 ± 0.002 Å
b	13.966 ± 0.003 Å
c	12.181 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1674.3 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242420 (current)	2019-11-26	cif/ Adding structures of 4132436 via cif-deposit CGI script.	4132436.cif