Information card for entry 7016391

Structure parameters

• Formula: C48 H80 Ca K2 N8
• Calculated formula: C48 H80 Ca K2 N8
• SMILES: [Ca](N(c1ccccc1)C(C)C)(N(c1ccccc1)C(C)C)(N(c1ccccc1)C(C)C)N(c1ccccc1)C(C)C.[K][N](CCN(C)C)(C)C.[K][N](CCN(C)C)(C)C
• Title of publication: Amido-based potassium-alkaline earth metallates - synthesis and structures of heterobimetallic complexes of heavy s-block elements.
• Authors of publication: Glock, Carsten; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8108 - 8113
• a: 18.5234 ± 0.0006 Å
• b: 16.4872 ± 0.0004 Å
• c: 17.3811 ± 0.0006 Å
• α: 90°
• β: 98.364 ± 0.002°
• γ: 90°
• Cell volume: 5251.7 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No