Information card for entry 7103893

Structure parameters

• Formula: C18 H16 V2
• Calculated formula: C18 H16 V2
• SMILES: [cH]12[cH]3[cH]4[c]567[c]891[cH]1[cH]%10[cH]5[V]5%11%12%13681%10([cH]1[cH]5[cH]%13[cH]%12[cH]%111)[V]156823479[cH]2[cH]1[cH]5[cH]6[cH]82
• Title of publication: [V(η5-C5H5)]2C8H6: a bimetallic pentalene-bridged complex with multiple bonding between the metal atoms
• Authors of publication: Jones, Simon C.; O'Hare, Dermot
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2208 - 2209
• a: 11.5324 ± 0.0003 Å
• b: 7.7618 ± 0.0002 Å
• c: 15.9992 ± 0.0005 Å
• α: 90°
• β: 102.465 ± 0.001°
• γ: 90°
• Cell volume: 1398.36 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No