Crystallography Open Database

Information card for entry 7712554

Preview

Coordinates	7712554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154.5 H178 Cl8 F2 N6 Re2
Calculated formula	C154.5 H178 Cl8 F2 N6 Re2
Title of publication	Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility
Authors of publication	Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich
Journal of publication	Dalton Transactions
Year of publication	2023
a	14.706 ± 0.003 Å
b	16.346 ± 0.003 Å
c	17.419 ± 0.005 Å
α	84.392 ± 0.008°
β	82.455 ± 0.009°
γ	63.855 ± 0.005°
Cell volume	3722.5 ± 1.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281755 (current)	2023-03-09	cif/ Adding structures of 7712547, 7712548, 7712549, 7712550, 7712551, 7712552, 7712553, 7712554, 7712555, 7712556, 7712557 via cif-deposit CGI script.	7712554.cif