Information card for entry 7203247

Structure parameters

• Formula: C124 H152 O39 Zr6
• Calculated formula: C124 H147 O39 Zr6
• SMILES: [Zr]123456([O]7[Zr]89%10%11%12([O]%13[Zr]%14%15%16%177([O]3[Zr]37%18%19([O]%20[Zr]([O]18)([O]23)([O]9[Zr]%13%20([O]%147)([O]=C(O%11)[C@@H]1[C@H]2C=C[C@@H](C1)C2)([OH]CCCC)(OC(=[O]%19)[C@H]1[C@@H]2C=C[C@H](C1)C2)[O]=C(O%17)[C@H]1[C@@H]2C=C[C@H](C1)C2)([O]=C(O%12)[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)([O]=C(O%18)[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(O6)[C@@H]1[C@H]2C=C[C@@H](C1)C2)OC(=[O]%16)[C@@H]1[C@H]2C=C[C@@H](C1)C2)[O]=C(O%15)[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.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: 15.621 ± 0.004 Å
• b: 15.641 ± 0.004 Å
• c: 30.8 ± 0.008 Å
• α: 99.36 ± 0.006°
• β: 95.793 ± 0.005°
• γ: 113.343 ± 0.005°
• Cell volume: 6703 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.193
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No