Information card for entry 2210358

Structure parameters

• Chemical name: (5,5-Diphenylhydantoinato-κN^3^)[tris(3-aminopropyl)amine]copper(II) 5,5-diphenylhydantoinate methanol solvate
• Formula: C40 H50 Cu N8 O5
• Calculated formula: C40 H50 Cu N8 O5
• SMILES: [Cu]123(N4C(=O)NC(C4=O)(c4ccccc4)c4ccccc4)[N](CCC[NH2]1)(CCC[NH2]2)CCC[NH2]3.N1=C([O-])NC(C1=O)(c1ccccc1)c1ccccc1.OC
• Title of publication: (5,5-Diphenylhydantoinato-κ<i>N</i>^3^)[tris(3-aminopropyl)amine]copper(II) 5,5-diphenylhydantoinate methanol solvate
• Authors of publication: Xi-Lan Hu; Xing-You Xu; Tong-Tao Xu; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2352 - m2353
• a: 8.562 ± 0.003 Å
• b: 14.548 ± 0.005 Å
• c: 17.323 ± 0.007 Å
• α: 66.2 ± 0.006°
• β: 85.955 ± 0.006°
• γ: 75 ± 0.006°
• Cell volume: 1905.6 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes