Crystallography Open Database

Information card for entry 1546503

Preview

Coordinates	1546503.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	19.2187 ± 0.0018 Å
b	17.1982 ± 0.0018 Å
c	19.999 ± 0.003 Å
α	90°
β	90.738 ± 0.012°
γ	90°
Cell volume	6609.7 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.1072
Weighted residual factors for all reflections	0.3333
Weighted residual factors for significantly intense reflections	0.2509
Weighted residual factors for all reflections included in the refinement	0.3327
Goodness-of-fit parameter for all reflections included in the refinement	0.9981
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198564 (current)	2017-07-08	cif/ Adding structures of 1546503, 1546504, 1546505, 1546506, 1546507 via cif-deposit CGI script.	1546503.cif