Information card for entry 7008972

Structure parameters

• Formula: C14 H28 Cu2 N4 O18 S2
• Calculated formula: C14 H28 Cu2 N4 O18 S2
• SMILES: [Cu]1([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2cccc3c2c2[n]1cc[n]1[Cu]([n]4c(c21)c3ccc4)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([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: 7.3457 ± 0.0002 Å
• b: 13.2214 ± 0.0004 Å
• c: 14.5128 ± 0.0003 Å
• α: 114.229 ± 0.001°
• β: 99.13°
• γ: 90.252 ± 0.001°
• Cell volume: 1265.26 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.0682
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No