Crystallography Open Database

Information card for entry 7056566

Preview

Coordinates	7056566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 Br0.55 F3.45
Calculated formula	C40 H24 Br0.55 F3.45
Title of publication	Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives
Authors of publication	Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.
Journal of publication	New J. Chem.
Year of publication	2017
a	12.6575 ± 0.0011 Å
b	10.6532 ± 0.0009 Å
c	11.1899 ± 0.001 Å
α	90°
β	115.098 ± 0.002°
γ	90°
Cell volume	1366.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
200020 (current)	2017-08-31	cif/ Adding structures of 7056557, 7056558, 7056559, 7056560, 7056561, 7056562, 7056563, 7056564, 7056565, 7056566, 7056567, 7056568, 7056569, 7056570 via cif-deposit CGI script.	7056566.cif