Information card for entry 4348926

Structure parameters

• Formula: C34 H47 B4 F16 N15 Ni3 O7
• Calculated formula: C34 H40 B4 F16 N15 Ni3 O7
• SMILES: [Ni]123([OH2])([OH]C)[n]4n(ccc4)c4[n]1c(ccc4)C=[N]2N1[Ni]24([OH]C)([OH]C)[n]5n(ccc5)c5[n]2c(ccc5)C=[N]4N2[Ni]45([OH]C)([OH]C)[n]6n(ccc6)c6[n]4c(ccc6)C=[N]5[N]3=C12.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC
• 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: 10.0521 ± 0.0008 Å
• b: 11.4299 ± 0.0009 Å
• c: 22.6136 ± 0.0018 Å
• α: 77.666 ± 0.001°
• β: 83.379 ± 0.002°
• γ: 83.524 ± 0.002°
• Cell volume: 2510.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2075
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No