Crystallography Open Database

Information card for entry 7123825

Preview

Coordinates	7123825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H43 Au2 B11 Cl2 P2
Calculated formula	C40 H43 Au2 B11 Cl2 P2
Title of publication	Carba-closo-dodecaboranylethynyl ligands facilitating luminescent reversed charge-transfer excited states in gold/silver complexes
Authors of publication	Hailmann, Michael; Hupp, Benjamin; Himmelspach, Alexander; Keppner, Fabian; Hennig, Philipp T.; Bertermann, Rüdiger; Steffen, Andreas; Finze, Maik
Journal of publication	Chemical Communications
Year of publication	2019
a	11.2596 ± 0.0005 Å
b	12.2332 ± 0.0006 Å
c	18.003 ± 0.0009 Å
α	80.935 ± 0.001°
β	75.008 ± 0.001°
γ	68.427 ± 0.001°
Cell volume	2222.16 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.02
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216938 (current)	2019-07-11	cif/ Adding structures of 7123821, 7123822, 7123823, 7123824, 7123825, 7123826, 7123827, 7123828 via cif-deposit CGI script.	7123825.cif