Information card for entry 7011867

Structure parameters

• Formula: C24 H44 O4 W2
• Calculated formula: C24 H44 O4 W2
• SMILES: [W]12345([W]6789(OC(C)(C)C)(OC(C)(C)C)[CH]%10=[CH]6[CH]17=[CH]2[CH]3=[CH]4[CH]58=[CH]9%10)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Cyclooctatetraene ditungsten alkoxides: W2(??-??5,??5-COT)(OR)4, where R = CH2tBu, iPr, and tBu
• Authors of publication: Bursten, Bruce E.; Chisholm, Malcolm H.; Drummond, Michael L.; Gallucci, Judith C.; Hollandsworth, Carl B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4077
• a: 8.6049 ± 0.0001 Å
• b: 12.7625 ± 0.0001 Å
• c: 24.3617 ± 0.0002 Å
• α: 90°
• β: 91.73 ± 0.001°
• γ: 90°
• Cell volume: 2674.18 ± 0.04 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: 0.0185
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for all reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0356
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No