Information card for entry 7023566

Structure parameters

• Formula: C110.8 H86 B2 N16 O0.2 Ru
• Calculated formula: C108 H81 B2 N15 Ru
• SMILES: [Ru]1234([n]5c(cccc5c5[n]2c2ccccc2n5c2ccncc2)c2[n]1c1ccccc1n2c1ccncc1)[n]1c(cccc1c1[n]4c2ccccc2n1c1ccncc1)c1[n]3c2ccccc2n1c1ccncc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• Title of publication: A redox-active porous coordination network film based on a Ru complex as a building block on an ITO electrode.
• Authors of publication: Shinomiya, Takuya; Ozawa, Hiroaki; Mutoh, Yuichiro; Haga, Masa-Aki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16166 - 16175
• a: 16.542 ± 0.003 Å
• b: 16.918 ± 0.003 Å
• c: 32.343 ± 0.006 Å
• α: 90°
• β: 98.6817 ± 0.0019°
• γ: 90°
• Cell volume: 8948 ± 3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 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: 0.1169
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No