Information card for entry 7715049

Structure parameters

• Formula: C13 H14 Cl2 N2 O2 Ru S
• Calculated formula: C13 H14 Cl2 N2 O2 Ru S
• SMILES: [Ru]1(Cl)(Cl)(N=O)([O]=S(C)C)[n]2ccccc2c2c1cccc2
• Title of publication: Porous oligomeric materials synthesised using a new, highly active precatalyst based on ruthenium(III) and 2-phenylpyridine.
• Authors of publication: Pobłocki, Kacper; Jarzembska, Katarzyna N.; Kamiński, Radosław; Drzeżdżon, Joanna; Deresz, Krystyna A.; Schaniel, Dominik; Gołąbiewska, Anna; Gawdzik, Barbara; Rybiński, Przemysław; Jacewicz, Dagmara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4194 - 4203
• a: 8.616 ± 0.002 Å
• b: 8.795 ± 0.002 Å
• c: 11.944 ± 0.002 Å
• α: 97.23 ± 0.03°
• β: 95.61 ± 0.03°
• γ: 114.26 ± 0.03°
• Cell volume: 807.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0278
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for significantly intense reflections: 1.4348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No