Information card for entry 7012580

Structure parameters

• Formula: C2 H8 As2 B7 I
• Calculated formula: C2 H8 As2 B7 I
• Title of publication: Arsacarborane chemistry. The 7,8,9,11-, 7,9,8,10- and 7,8,9,10-isomers of nido-As2C2B7H9 and some of their halogenated derivativesElectronic supplementary information (ESI) available: selected bond lengths and angles for the crystallographically determined compound 3-I-2 have been also deposited, together with coordinates for the B3LYP/6-31G* calculated structures for all compounds reported. See http://www.rsc.org/suppdata/dt/b2/b212183b/
• Authors of publication: Mikulášek, Libor; Grüner, Bohumír; Císařová, Ivana; Štíbr, Bohumil
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1332
• a: 10.067 ± 0.0002 Å
• b: 19.87 ± 0.0001 Å
• c: 9.991 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.51 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No