Information card for entry 7009090

Structure parameters

• Formula: C19 H24 Zr
• Calculated formula: C19 H24 Zr
• SMILES: [Zr]123456789%10%11%12([c]%13(C(C)(C)[c]%145[cH]6[cH]7[cH]8[cH]9%14)[cH]1[cH]2[cH]3[cH]4%13)[CH2]=[C]%11([C]%12(=[CH2]%10)C)C
• Title of publication: Studies on ansa-zirconocene‒butadiene derivatives
• Authors of publication: Green, Jennifer C.; Green, Malcolm L. H.; Taylor, Grant C.; Saunders, John
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 317
• a: 6.688 ± 0.002 Å
• b: 7.534 ± 0.001 Å
• c: 16.993 ± 0.003 Å
• α: 93.686 ± 0.006°
• β: 95.98 ± 0.007°
• γ: 111.58 ± 0.002°
• Cell volume: 787 ± 0.3 ų
• Cell temperature: 0 K
• Ambient diffraction temperature: 0 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0342
• Goodness-of-fit parameter for significantly intense reflections: 1.0237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No