Information card for entry 7134174

Structure parameters

• Formula: C17 H27 Cl2 N5 O Ru
• Calculated formula: C17 H27 Cl2 N5 O Ru
• Title of publication: Formic acid dehydrogenation catalysed by a novel amino-di(N-heterocyclic carbene) based Ru-CNC pincer complex.
• Authors of publication: Aufricht, Patricia; Nori, Valeria; Rabell, Brenda; Piccirilli, Luca; Koranchalil, Sakhitha; W Larsen, René; Nielsen, Mathias T.; Nielsen, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 20
• Pages of publication: 3986 - 3989
• a: 10.1376 ± 0.0002 Å
• b: 15.2198 ± 0.0002 Å
• c: 13.6429 ± 0.0002 Å
• α: 90°
• β: 93.669 ± 0.002°
• γ: 90°
• Cell volume: 2100.68 ± 0.06 ų
• Cell temperature: 119.99 ± 0.18 K
• Ambient diffraction temperature: 119.99 ± 0.18 K
• Number of distinct elements: 6
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No