Crystallography Open Database

Information card for entry 7712835

Preview

Coordinates	7712835.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4a
Formula	C26 H58 Fe Si8
Calculated formula	C26 H58 Fe Si8
Title of publication	Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes
Authors of publication	Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz
Journal of publication	Dalton Transactions
Year of publication	2023
a	18.8023 ± 0.0014 Å
b	16.3214 ± 0.0013 Å
c	11.9698 ± 0.0009 Å
α	90°
β	94.187 ± 0.003°
γ	90°
Cell volume	3663.5 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.813
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7712835.html