Information card for entry 2205854

Structure parameters

• Chemical name: Bis(2,2'-dipyridylamine)dimethanolcopper(II) hexafluorosilicate
• Formula: C22 H26 Cu F6 N6 O2 Si
• Calculated formula: C22 H26 Cu F6 N6 O2 Si
• SMILES: F[Si](F)(F)(F)([F-])[F-].[n]12c(Nc3[n]([Cu]42([OH]C)([n]2c(Nc5[n]4cccc5)cccc2)[OH]C)cccc3)cccc1
• Title of publication: Bis(2,2'-dipyridylamine)dimethanolcopper(II) hexafluorosilicate
• Authors of publication: Casellas, Helene; Pevec, Andrej; Kozlevcar, Bojan; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1120 - m1122
• a: 8.0593 ± 0.0003 Å
• b: 8.4334 ± 0.0003 Å
• c: 9.8099 ± 0.0004 Å
• α: 111.688 ± 0.002°
• β: 91.079 ± 0.002°
• γ: 99.634 ± 0.002°
• Cell volume: 608.44 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No