Information card for entry 7003570

Structure parameters

• Formula: C30 H48 Ca N2 O4
• Calculated formula: C30 H48 Ca N2 O4
• SMILES: [Ca]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(N(c1ccccc1)C)N(c1ccccc1)C
• Title of publication: Synthesis and structural variations of substituted phenylamide complexes of the heavy alkaline earth metals calcium, strontium and barium
• Authors of publication: Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1574 - 1582
• a: 16.7482 ± 0.001 Å
• b: 17.8861 ± 0.0011 Å
• c: 20.6278 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6179.3 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No