Information card for entry 4348925

Structure parameters

• Formula: C28 H31 Cl4 Cu3 N15 O5
• Calculated formula: C28 H21 Cl4 Cu3 N15 O5
• SMILES: [Cu]123(Cl)[n]4n(ccc4)c4[n]1c(ccc4)C=[N]2N1[Cu]24(Cl)[n]5n(ccc5)c5[n]2c(ccc5)C=[N]4N2[Cu]45(Cl)[n]6n(ccc6)c6[n]4c(ccc6)C=[N]5[N]3=C12.[Cl-].O.O.O.O.O
• Title of publication: Planar copper and nickel triangles with a guanidine-derived ligand
• Authors of publication: Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 725
• a: 11.665 ± 0.003 Å
• b: 6.7814 ± 0.0015 Å
• c: 48.532 ± 0.011 Å
• α: 90°
• β: 94.167 ± 0.004°
• γ: 90°
• Cell volume: 3829 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1235
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No