Information card for entry 1557190

Structure parameters

• Common name: [bpmpCu(Cl)VO-(H2O)](C1O4)2
• Formula: C33 H35 Cl3 Cu N6 O11 V
• Calculated formula: C33 Cl3 Cu N6 O11 V
• SMILES: [Cu]123(Cl)[O]4[V]56(=O)([OH2])[N](Cc7c4c(cc(c7)C)C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)(Cc1[n]5cccc1)Cc1[n]6cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Crystal Structure and Magnetic Properties of a Copper(II)-Vanadium(IV) Complex of an 'Open-Ended' Dinucleating Ligand
• Authors of publication: Hazell, Alan; McKenzie, Christine J.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 470 - 475
• a: 23.445 ± 0.003 Å
• b: 16.392 ± 0.003 Å
• c: 20.612 ± 0.003 Å
• α: 90°
• β: 106.955 ± 0.007°
• γ: 90°
• Cell volume: 7577 ± 2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No