Information card for entry 4512000

Structure parameters

• Formula: C550 H608 Cl4 Co48 K2 N16 O144 P12 S48
• Calculated formula: C550 H584 Cl4 Co48 K2 N16 O144 P12 S48
• Title of publication: Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene
• Authors of publication: Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5865
• a: 22.8996 ± 0.0004 Å
• b: 24.2213 ± 0.0003 Å
• c: 34.991 ± 0.0005 Å
• α: 78.65 ± 0.001°
• β: 75.733 ± 0.001°
• γ: 70.783 ± 0.001°
• Cell volume: 17618.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No