Information card for entry 4072772

Structure parameters

• Formula: C24 H47 Ca N O3 Si2
• Calculated formula: C24 H47 Ca N O3 Si2
• SMILES: [Ca](N([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)c1ccccc1
• Title of publication: Heteroleptic Phenylcalcium Derivatives via Metathesis Reactions of PhCa(thf)4I with Potassium Compounds
• Authors of publication: Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1077
• a: 17.6989 ± 0.0007 Å
• b: 10.7553 ± 0.0004 Å
• c: 17.5032 ± 0.0005 Å
• α: 90°
• β: 117.217 ± 0.002°
• γ: 90°
• Cell volume: 2962.96 ± 0.19 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No