Information card for entry 4077203

Structure parameters

• Formula: C8.5 H11.5 Cl Si0.5 Zr0.5
• Calculated formula: C8.5 H11.5 Cl Si0.5 Zr0.5
• Title of publication: Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)
• Authors of publication: Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 71
• a: 10.626 ± 0.008 Å
• b: 13.839 ± 0.003 Å
• c: 12.47 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833.8 ± 1.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.3153
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No