Information card for entry 1559076

Structure parameters

• Common name: Tetrakis[mu-propionato]bis(nicotinamide)dicopper(II), [Cu(CH3CH2COO)2(nia)2]2 (nia = nicotinamide)
• Formula: C24 H32 Cu2 N4 O10
• Calculated formula: C24 Cu2 N4 O10
• SMILES: [Cu]1234([Cu]([O]=C(O1)CC)(OC(=[O]2)CC)([O]=C(O3)CC)(OC(=[O]4)CC)[n]1cccc(c1)C(=O)N)[n]1cccc(c1)C(=O)N
• Title of publication: The Crystal and Molecular Structure of Tetrakis[mu-propionato]bis(nicotinamide)dicopper(II)
• Authors of publication: Smolander, Kimmo; Macko, Milan; Valko, Marian; Melnik, Milan
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 29 - 33
• a: 9.895 ± 0.007 Å
• b: 11.204 ± 0.007 Å
• c: 13.509 ± 0.007 Å
• α: 87.36 ± 0.05°
• β: 89.17 ± 0.05°
• γ: 74.25 ± 0.05°
• Cell volume: 1439.9 ± 1.6 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No