Crystallography Open Database

Information card for entry 1546505

Preview

Coordinates	1546505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H68 B F24 P2 Rh
Calculated formula	C62 H68 B F24 P2 Rh
Title of publication	Solid‒State Molecular Organometallic Chemistry. Single‒Crystal to Single‒Crystal Reactivity and Catalysis with Light Hydrocarbon Substrates.
Authors of publication	Chadwick, Fredrick M.; McKay, Alasdair I.; Martinez-Martinez, Antonio J.; Rees, Nick; Kraemer, Tobias; Macgregor, Stuart Alan; Weller, Andrew
Journal of publication	Chem. Sci.
Year of publication	2017
a	25.8617 ± 0.0003 Å
b	25.8617 ± 0.0003 Å
c	20.302 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	11759.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for all reflections	0.2106
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	0.9722
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546505.html