Information card for entry 4301149

Structure parameters

• Formula: C60 H62 Ca K2 N4 O3
• Calculated formula: C60 H62 Ca K2 N4 O3
• SMILES: [Ca](N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.[K+].[K+]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes
• Authors of publication: Matthias Westerhausen; Carsten Glock; Helmar Görls
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 394 - 399
• a: 30.6638 ± 0.0006 Å
• b: 33.8849 ± 0.0008 Å
• c: 20.4672 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21266.2 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No