Information card for entry 7029294

Structure parameters

• Formula: C17 H44 B10 Li2 N2 O4
• Calculated formula: C17 H44 B10 Li2 N2 O4
• SMILES: N1(C(=[N](C(C)C)[Li]2[O](C)C(C[O]2C))[C]2345[C]678([BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%102[BH]279[BH]845[BH]6%1232)[Li]21[O](CC[O]2C)C)C(C)C
• Title of publication: Novel inorganic heterocycles from dimetalated carboranylamidinates.
• Authors of publication: Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 5001 - 5013
• a: 10.182 ± 0.002 Å
• b: 13.527 ± 0.003 Å
• c: 20.85 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871.7 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No