Information card for entry 4083550

Structure parameters

• Formula: C53 H45 F18 N4 O3 P3 Ru Si
• Calculated formula: C53 H45 F18 N4 O3 P3 Ru Si
• SMILES: [n]12c3c4[n](cccc4ccc3ccc1)[Si]132([n]2c4c5[n]1cccc5ccc4ccc2)Oc1[c]24[cH]5[cH]6[cH]7[c]89ccc%10cccc(c1O3)c%10[c]28[Ru]123845679[c]4([c]1([c]2([c]3([c]84C)C)C)C)C.C(=O)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: DNA Mismatch Recognition by a Hexacoordinate Silicon Sandwich‒Ruthenium Hybrid Complex
• Authors of publication: Fu, Chen; Harms, Klaus; Zhang, Lilu; Meggers, Eric
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3219
• a: 13.261 ± 0.0005 Å
• b: 13.0303 ± 0.0006 Å
• c: 30.4909 ± 0.0013 Å
• α: 90°
• β: 92.1125 ± 0.0016°
• γ: 90°
• Cell volume: 5265.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No