Information card for entry 7004658

Structure parameters

• Common name: ((nBu-C6H4)5Cp)2Sr
• Formula: C110 H130 Sr
• Calculated formula: C110 H130 Sr
• SMILES: c1(ccc(cc1)CCCC)[c]12[c]3(c4ccc(cc4)CCCC)[c]4(c5ccc(cc5)CCCC)[c]5(c6ccc(cc6)CCCC)[c]1(c1ccc(cc1)CCCC)[Sr]23456789[c]1(c2c(cc2)CCCC)[c]6(c2ccc(cc2)CCCC)[c]7(c2ccc(cc2)CCCC)[c]8([c]19c1ccc(cc1)CCCC)c1ccc(cc1)CCCC
• Title of publication: Superbulky metallocene complexes of the heavier alkaline-earth metals strontium and barium
• Authors of publication: Orzechowski, Lars; Piesik, Dirk F.-J.; Ruspic, Christian; Harder, Sjoerd
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4742 - 4746
• a: 13.1279 ± 0.0015 Å
• b: 13.9524 ± 0.0008 Å
• c: 14.298 ± 0.0008 Å
• α: 117.314 ± 0.003°
• β: 97.775 ± 0.004°
• γ: 93.923 ± 0.004°
• Cell volume: 2280 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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 all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No