Information card for entry 7042942

Structure parameters

• Formula: C36 H46 N2 Si V
• Calculated formula: C36 H46 N2 Si V
• SMILES: [V]12345678(=[Si]9N(c%10c(C(C)C)cccc%10C(C)C)C=CN9c9c(C(C)C)cccc9C(C)C)([cH]9[cH]3[cH]1[cH]6[cH]59)[cH]1[cH]7[cH]8[cH]2[cH]41
• Title of publication: Structural and electronic elucidation of N-heterocyclic silylene vanadocene adduct
• Authors of publication: Hänninen, Mikko; Baldansuren, Amgalanbaatar; Pugh, Thomas
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.1507 ± 0.00015 Å
• b: 18.9014 ± 0.0006 Å
• c: 18.9172 ± 0.0006 Å
• α: 117.978 ± 0.003°
• β: 90.4725 ± 0.0019°
• γ: 91.1512 ± 0.0019°
• Cell volume: 3204.02 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No