Crystallography Open Database

Information card for entry 7130445

Preview

Coordinates	7130445.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[K{crypt.222}][MesTer2As2(EtO(CH)(CH2))]
Formula	C72 H99.5 As2 K N2 O7.5
Calculated formula	C72 H99.5 As2 K N2 O7.5
Title of publication	A Diarsene Radical Anion
Authors of publication	Sieg, Grégoire; Fischer, Malte M.F.; Dankert, Fabian; Siewert, Jan-Erik; Hering-Junghans, Christian; Werncke, Gunnar
Journal of publication	Chemical Communications
Year of publication	2022
a	13.0764 ± 0.0003 Å
b	16.9176 ± 0.0004 Å
c	18.5206 ± 0.0004 Å
α	81.259 ± 0.001°
β	73.079 ± 0.001°
γ	86.251 ± 0.001°
Cell volume	3873.28 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0604
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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