Crystallography Open Database

Information card for entry 7122031

7122030 << 7122031 >> 7122032

Preview

Coordinates	7122031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Ag Al F36 O4
Calculated formula	C40 H36 Ag Al F36 O4
Title of publication	Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.
Authors of publication	Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	72
Pages of publication	10036 - 10039
a	22.3404 ± 0.0015 Å
b	20.5472 ± 0.001 Å
c	23.5734 ± 0.0015 Å
α	90°
β	109.786 ± 0.001°
γ	90°
Cell volume	10182.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228412 (current)	2019-11-17	cif/ Updating files of 7122030, 7122031, 7122032, 7122033 Original log message: Adding full bibliography for 7122030--7122033.cif.	7122031.cif
209221	2018-07-24	cif/ Adding structures of 7122030, 7122031, 7122032, 7122033 via cif-deposit CGI script.	7122031.cif