Crystallography Open Database

Information card for entry 7110241

Preview

Coordinates	7110241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H41 B F24 N3 Rh
Calculated formula	C53 H41 B F24 N3 Rh
Title of publication	Solvent promoted reversible cyclometalation in a tethered NHC iridium complex
Authors of publication	James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	685
a	12.1608 ± 0.0002 Å
b	14.5984 ± 0.0002 Å
c	16.9119 ± 0.0003 Å
α	102.423 ± 0.0014°
β	108.559 ± 0.0017°
γ	99.8392 ± 0.0013°
Cell volume	2685.08 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2059
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
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/7110241.html