Information card for entry 7044197

Structure parameters

• Formula: C2 H9 B7 Sb2
• Calculated formula: C2 H9 B7 Sb2
• SMILES: [BH]1234[BH]567[BH]891[Sb]16[Sb]68[CH]8%10[BH]%11%12[BH]25([CH]71%11)[BH]38%12[BH]496%10
• Title of publication: A novel stibacarbaborane cluster with adjacent antimony atoms exhibiting unique pnictogen bond formation that dominates its crystal packing
• Authors of publication: Holub, Josef; Melichar, Petr; Ruzickova, Zdenka; Vrana, Jan; Wann, Derek; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.4799 ± 0.0012 Å
• b: 6.6471 ± 0.0004 Å
• c: 6.5803 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 895.79 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No