Information card for entry 7011532

Structure parameters

• Formula: C35 H28 Cu2 N8 O14
• Calculated formula: C35 H26 Cu2 N8 O14
• SMILES: [Cu]123(OC4=C5O[Cu]67([O]=C5C(=O)C4=[O]1)([OH2])[n]1ccccc1c1cccc([n]61)c1cccc[n]71)([OH2])[n]1ccccc1c1cccc([n]21)c1cccc[n]31.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(ii) complexes
• Authors of publication: Castro, Isabel; Calatayud, María Luisa; Lloret, Francesc; Sletten, Jorunn; Julve, Miguel
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 2397
• a: 9.5413 ± 0.0014 Å
• b: 13.473 ± 0.002 Å
• c: 15.059 ± 0.002 Å
• α: 86.678 ± 0.012°
• β: 72.591 ± 0.012°
• γ: 79.61 ± 0.012°
• Cell volume: 1816.9 ± 0.5 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: 0.0613
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No