Information card for entry 4080009

Structure parameters

• Formula: C30 H39 Nb Si2
• Calculated formula: C30 H39 Nb Si2
• SMILES: [NbH]123456789([CH](c%10ccccc%10)=[CH]1c1ccccc1)([c]1([Si](C)(C)C)[cH]2[cH]3[cH]4[cH]51)[c]1([cH]6[cH]7[cH]8[cH]91)[Si](C)(C)C
• Title of publication: Synthesis and Reactivity of New Niobocene Hydride-Stibine and Hydride-Stilbene Complexes. X-ray Crystal Structure of [Nb(η5-C5H4SiMe3)2(H)(trans-η2-C,C-PhCH═CHPh)]
• Authors of publication: Antiñolo, Antonio; Pérez-Flores, Juan-Carlos; Hervás, Maria Jesús; García-Yuste, Santiago; López-Solera, Maria Isabel; Otero, Antonio; Fernández-Pacheco, Ana Rodríguez; Tercero-Morales, Maria Teresa
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 862
• a: 12.6788 ± 0.0009 Å
• b: 10.9654 ± 0.0008 Å
• c: 19.9135 ± 0.0015 Å
• α: 90°
• β: 94.087 ± 0.004°
• γ: 90°
• Cell volume: 2761.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No