Information card for entry 7029298

Structure parameters

• Formula: C27 H42 B10 N2 Si
• Calculated formula: C27 H42 B10 N2 Si
• SMILES: [Si]1([C]2345[C]678(/C(=N\C9CCCCC9)N1C1CCCCC1)[BH]192[BH]2%106[BH]6%117[BH]738[BH]384[BH]451[BH]192[BH]2%106[BH]%1173[BH]8412)(c1ccccc1)c1ccccc1
• 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: 11.8346 ± 0.0015 Å
• b: 32.995 ± 0.005 Å
• c: 9.2931 ± 0.0011 Å
• α: 90°
• β: 123.079 ± 0.017°
• γ: 90°
• Cell volume: 3040.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No