Crystallography Open Database

Information card for entry 7018226

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Structure parameters

Formula	C24 H18 Br6 Se2
Calculated formula	C24 H18 Br6 Se2
SMILES	Br[Se]1([Se+](c2ccc3c4c(ccc1c24)CC3)c1ccccc1)c1ccccc1.Br[Br-]Br.BrBr
Title of publication	Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.
Authors of publication	Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3154 - 3165
a	10.87 ± 0.005 Å
b	11.404 ± 0.006 Å
c	11.938 ± 0.006 Å
α	106.223 ± 0.007°
β	91.894 ± 0.008°
γ	108.294 ± 0.009°
Cell volume	1337.2 ± 1.2 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.3337
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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