Information card for entry 7203246

Structure parameters

• Formula: C120 H142 O38 Zr6
• Calculated formula: C120 H138 O38 Zr6
• SMILES: C(=O)(O)[C@H]1[C@H]2C=C[C@@H](C1)C2.[Zr]123456([O]7[Zr]89%10%11%12([O]%13[Zr]%14%15%16%17%18([O]9[Zr]9%19([O]18)([O]3[Zr]13([O]2[Zr]27%13([O]%151)(OC(=[O]2)[C@@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%18)[C@@H]1[C@@H]2C=C[C@H](C1)C2)OC(=[O]3)[C@H]1[C@H]2C=C[C@@H](C1)C2)([O]%149)(OC(=[O]%17)[C@@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%19)[C@@H]1[C@@H]2C=C[C@H](C1)C2)OC(=[O]6)[C@H]1[C@H]2C=C[C@@H](C1)C2)(OC(=[O]5)[C@H]1[C@H]2C=C[C@@H](C1)C2)(OC(=[O]%11)[C@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%16)[C@@H]1[C@@H]2C=C[C@H](C1)C2)OC(=[O]%12)[C@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%10)[C@@H]1[C@@H]2C=C[C@H](C1)C2)[O]=C(O4)[C@H]1[C@H]2C=C[C@@H](C1)C2.OC(=O)[C@H]1[C@H]2C=C[C@@H](C1)C2.O=C(O)[C@@H]1[C@@H]2C=C[C@H](C1)C2
• Title of publication: Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
• Authors of publication: Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 3268
• a: 15.1389 ± 0.0006 Å
• b: 27.919 ± 0.0011 Å
• c: 28.2235 ± 0.0011 Å
• α: 90°
• β: 93.822 ± 0.001°
• γ: 90°
• Cell volume: 11902.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1472
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No