Information card for entry 7704814

Structure parameters

• Chemical name: Ru24-CN-OBz4BF4
• Formula: C44 H44 B F4 N4 O14 Ru2
• Calculated formula: C44 H44 B F4 N4 O14 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O4)c4ccc(cc4)C#N)(OC(=[O]2)c2ccc(cc2)C#N)([O]=C(O1)c1ccc(C#N)cc1)(OC(=[O]3)c1ccc(cc1)C#N)[OH2])[OH2].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: Synthesis of atomically precise single-crystalline Ru₂-based coordination polymers.
• Authors of publication: Gao, Wen-Yang; Van Trieste Iii, Gerard Pierre; Powers, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16077 - 16081
• a: 17.049 ± 0.011 Å
• b: 16.731 ± 0.011 Å
• c: 19.517 ± 0.012 Å
• α: 90°
• β: 92.238 ± 0.008°
• γ: 90°
• Cell volume: 5563 ± 6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No