Information card for entry 2219964

Structure parameters

• Chemical name: Tris{N-[(anthracen-9-yl)methyleneamino]thioureato}cobalt(III) tetrahydrate
• Formula: C48 H44 Co N9 O4 S3
• Calculated formula: C48 H44 Co N9 O4 S3
• Title of publication: Tris{<i>N</i>-[(anthracen-9-yl)methyleneamino]thioureato}cobalt(III) tetrahydrate
• Authors of publication: Zhao, Jianying; Zhang, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1355 - m1356
• a: 9.8907 ± 0.0019 Å
• b: 17.073 ± 0.003 Å
• c: 17.511 ± 0.004 Å
• α: 91.315 ± 0.007°
• β: 99.92 ± 0.006°
• γ: 93.972 ± 0.006°
• Cell volume: 2903.9 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes