Information card for entry 4312756

Structure parameters

• Formula: C32 H24 Cu2 N18 O4
• Calculated formula: C32 H24 Cu2 N18 O4
• SMILES: [Cu]12([OH2])([n]3ccccc3c3[n]2c(c2[n]1cccc2)c1[n]2[Cu]([OH2])([n]4ccccc14)([n]1ccccc1c32)(N=C=NC#N)N=C=NC#N)(N=C=NC#N)N=C=NC#N.O.O
• Title of publication: Crystal Structures and Magnetic Properties of 2,3,5,6-Tetrakis(2-pyridyl)pyrazine (tppz)-Containing Copper(II) Complexes
• Authors of publication: José Carranza; Conor Brennan; Jorunn Sletten; Juan Modesto Clemente-Juan; Francesc Lloret; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8716 - 8727
• a: 8.4621 ± 0.0008 Å
• b: 40.687 ± 0.004 Å
• c: 10.4565 ± 0.001 Å
• α: 90°
• β: 102.213 ± 0.002°
• γ: 90°
• Cell volume: 3518.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No