Information card for entry 2200354

Structure parameters

• Common name: [Cu(OH)~4~(C~12~H~8~N~2)~4~(H~2~O)~4~(NO~3~)~4~]
• Chemical name: Diaquadi-μ~3~-hydroxo-di-μ~2~-hydroxo-tetraphenanthrolinetetracopper(II) tetranitrate dihydrate
• Formula: C48 H36 Cu4 N12 O20
• Calculated formula: C48 H36 Cu4 N12 O20
• SMILES: [n]12cccc3ccc4ccc[n]([Cu]51([OH2])[OH][Cu]16([n]7cccc8ccc9ccc[n]1c9c78)[OH]5[Cu]15([n]7cccc8ccc9ccc[n]1c9c78)[OH][Cu]1([n]7cccc8ccc9ccc[n]1c9c78)([OH2])[OH]65)c4c23.N(=O)(=O)[O-].N(=O)(=O)[O-].O.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: A tetranuclear copper complex, [Cu~4~(μ~3~-OH)~2~(μ~2~-OH)~2~(phen)~4~(H~2~O)~2~](NO~3~)~4~·2H~2~O
• Authors of publication: Chuanpeng Cui; Jingcao Dai; Limin Wu; Wenxin Du; Xintao Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m198 - m200
• a: 10.1504 ± 0.0001 Å
• b: 11.9299 ± 0.0003 Å
• c: 12.6337 ± 0.0001 Å
• α: 111.073 ± 0.001°
• β: 90.906 ± 0.002°
• γ: 111.218 ± 0.002°
• Cell volume: 1311.91 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1261
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes