Information card for entry 7029297

Structure parameters

• Formula: C15 H29 B10 N2 P
• Calculated formula: C15 H29 B10 N2 P
• SMILES: P1(N(C(=N\C(C)C)\[C]2345[C]6781[BH]192[BH]2%103[BH]3%114[BH]456[BH]567[BH]734[BH]32%11[BH]21%10[BH]895[BH]6732)C(C)C)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: 35.6 ± 0.007 Å
• b: 6.6979 ± 0.0013 Å
• c: 24.238 ± 0.005 Å
• α: 90°
• β: 131.32 ± 0.03°
• γ: 90°
• Cell volume: 4341 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No