Crystallography Open Database

Information card for entry 7127593

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Coordinates	7127593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 As2 Ti
Calculated formula	C40 H56 As2 Ti
Title of publication	Aryl-substituted triarsiranes: synthesis and reactivity.
Authors of publication	Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	8
Pages of publication	1014 - 1017
a	18.7002 ± 0.0003 Å
b	11.2416 ± 0.0002 Å
c	17.3895 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3655.62 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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