Information card for entry 1519129

Structure parameters

• Formula: C22 H44 Si4 Zr
• Calculated formula: C22 H42 Si4 Zr
• SMILES: [Zr]12345678([c]9([Si](C)(C)C)[cH]1[cH]2[c]3([Si](C)(C)C)[cH]49)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: C22H44Si4Zr
• Authors of publication: Bochmann, Manfred; Mazid, Muhammed A.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1993
• Pages of publication: 1187
• a: 12.075 ± 0.006 Å
• b: 15.42 ± 0.002 Å
• c: 15.571 ± 0.004 Å
• α: 90°
• β: 99.36 ± 0.02°
• γ: 90°
• Cell volume: 2860.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1298
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections: 0.487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.53
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No