Information card for entry 4339397

Structure parameters

• Formula: C60 H70 Cl Li2 O12 Pr Si4
• Calculated formula: C60 H70 Cl Li2 O12 Pr Si4
• SMILES: [Pr]1234(Cl)([O]5[Si](O[Si]([O]1[Li]1([O]2[Si](O[Si]([O]3[Li]25[O](C)CC[O]2C)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[O](C)CC[O]1C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](C)CC[O]4C
• Title of publication: Structural varieties in heterobimetallic lanthanide disiloxanediolates: "inorganic metallocenes" versus in-plane metallacrowns.
• Authors of publication: Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10383 - 10389
• a: 17.5599 ± 0.0012 Å
• b: 17.3036 ± 0.0011 Å
• c: 21.4873 ± 0.0014 Å
• α: 90°
• β: 99.681 ± 0.002°
• γ: 90°
• Cell volume: 6435.9 ± 0.7 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No