Information card for entry 4322352

Structure parameters

• Formula: C19 H36 Cl4 Cu2 N8 O16
• Calculated formula: C19 H36 Cl4 Cu2 N8 O16
• SMILES: [Cu]123[NH]4CC[NH]1CCC[NH]2CC[NH]3CC1(C4)C[NH]2[Cu]34[NH](CC2)CCC[NH]3CC[NH]4C1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Stepwise Complexation of Ni(II) and Cu(II) Ions by 6,6'-C-spirobi(cyclam) (cyclam = 1,4,8,11-Tetraazacyclotetradecane), L1. Syntheses and Redox Chemistry of [M(H2L1)]X4 (M = Cu2+, Ni2+), [Cu2(L1)]X4, and [CuNi(L1)]X4 (X = ClO4-) and the X-ray Crystal Structure of [Cu2(L1)](ClO4)4
• Authors of publication: A. McAuley; M. J. Zaworotko; K. Biradha
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5078 - 5085
• a: 8.1143 ± 0.0005 Å
• b: 12.6757 ± 0.0007 Å
• c: 16.698 ± 0.001 Å
• α: 80.445 ± 0.001°
• β: 76.152 ± 0.001°
• γ: 86.876 ± 0.001°
• Cell volume: 1644.21 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.12
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections: 0.3328
• Weighted residual factors for significantly intense reflections: 0.32
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No