Information card for entry 1558363

Structure parameters

• Common name: [Cu5(L-H)4]Br2.2H2O (HL=2)
• Formula: C16 H40 Br2 Cu5 N12 O6
• Calculated formula: C16 Br2 Cu5 N12 O6
• SMILES: C12CC=[N](C)[Cu]34[N]=1[O]1[Cu]56[O]7[N]8[Cu]1([NH2]2)[N](=CCC=8[NH2][Cu]17[N]2=C(CC=[N]1C)[NH2][Cu]1([N](=CCC(=[N]1[O]36)[NH2]4)C)[O]52)C.O.[Br-].O.[Br-]
• Title of publication: Equilibrium and Structural Studies on Metal Complexes of Oxime Ligands. Polynuclear Complex Formation of Copper(II) with 3-Aminopropanamidoxime and its N-Alkyl Derivatives
• Authors of publication: Orama, Marjatta; Saarinen, Heikki; Korvenranta, Jorma
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 127 - 133
• a: 10.88 ± 0.005 Å
• b: 5.93 ± 0.003 Å
• c: 23.836 ± 0.011 Å
• α: 90°
• β: 100.06 ± 0.04°
• γ: 90°
• Cell volume: 1514.2 ± 1.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No