Crystallography Open Database

Information card for entry 7703946

Preview

Coordinates	7703946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22.5 F6 N6 O0.25 P Re
Calculated formula	C28 H22 F6 N6 O0.25 P Re
Title of publication	[Re(η<sup>6</sup>-arene)<sub>2</sub>]<sup>+</sup> as a highly stable ferrocene-like scaffold for ligands and complexes.
Authors of publication	Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5250 - 5256
a	9.12699 ± 0.00016 Å
b	11.2066 ± 0.0002 Å
c	13.6865 ± 0.0002 Å
α	88.3898 ± 0.0015°
β	71.1433 ± 0.0016°
γ	86.0932 ± 0.0015°
Cell volume	1321.65 ± 0.04 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
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
251627 (current)	2020-05-05	cif/ Updating files of 7703939, 7703940, 7703941, 7703942, 7703943, 7703944, 7703945, 7703946, 7703947 Original log message: Adding full bibliography for 7703939--7703947.cif.	7703946.cif
250033	2020-04-04	cif/ Adding structures of 7703939, 7703940, 7703941, 7703942, 7703943, 7703944, 7703945, 7703946, 7703947 via cif-deposit CGI script.	7703946.cif