Information card for entry 4063670

Structure parameters

• Formula: C37 H48 Ca2 O4
• Calculated formula: C37 H48 Ca2 O4
• Title of publication: Coordination Behavior of Calcocene and Its Use as a Synthon for Heteroleptic Organocalcium Compounds
• Authors of publication: Fischer, Reinald; Langer, Jens; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1359
• a: 14.1216 ± 0.0009 Å
• b: 8.0719 ± 0.0006 Å
• c: 15.5962 ± 0.0009 Å
• α: 90°
• β: 95.284 ± 0.003°
• γ: 90°
• Cell volume: 1770.2 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No