Crystallography Open Database

Information card for entry 7703945

Preview

Coordinates	7703945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 F6 N3 P Re
Calculated formula	C22 H19 F6 N3 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	10.70728 ± 0.00014 Å
b	16.7513 ± 0.0002 Å
c	12.06921 ± 0.00017 Å
α	90°
β	103.977 ± 0.0014°
γ	90°
Cell volume	2100.65 ± 0.05 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
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.	7703945.cif
250033	2020-04-04	cif/ Adding structures of 7703939, 7703940, 7703941, 7703942, 7703943, 7703944, 7703945, 7703946, 7703947 via cif-deposit CGI script.	7703945.cif