Information card for entry 7025741

Structure parameters

• Formula: C18 H54 B11 Ge N3 Se
• Calculated formula: C18 H54 B11 Ge N3 Se
• SMILES: [Se-][Ge]1234[BH]567[BH]89%10[BH]%11%126[BH]615[BH]152[BH]2%134[BH]378[BH]3%102[BH]29%11[BH]1%133[BH]%12652.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.C(#N)C
• Title of publication: Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry.
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Weigend, Florian; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7504 - 7512
• a: 10.1594 ± 0.0005 Å
• b: 14.6085 ± 0.0009 Å
• c: 21.6075 ± 0.0013 Å
• α: 90°
• β: 97.115 ± 0.004°
• γ: 90°
• Cell volume: 3182.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No