Information card for entry 7008971

Structure parameters

• Formula: C18 H18 Cu2 N4 O13
• Calculated formula: C18 H16 Cu2 N4 O13
• SMILES: c12[n]3cc[n]4c2c2c(ccc[n]2[Cu]24OC(=O)C(=O)O2)c2ccc[n]([Cu]43OC(=O)C(=O)O4)c12.O.O.O.O.O
• Title of publication: Syntheses, crystal structures and magnetic properties of dinuclear copper(II) complexes with pyrazino[2,3-f ][4,7]phenanthroline (pap) as bridging ligand
• Authors of publication: Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 4
• Pages of publication: 515
• a: 18.3692 ± 0.0011 Å
• b: 17.6964 ± 0.0007 Å
• c: 7.0048 ± 0.0004 Å
• α: 90°
• β: 102.902 ± 0.002°
• γ: 90°
• Cell volume: 2219.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.1082
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No