Information card for entry 1561515

Structure parameters

• Formula: C35 H29 Cl N P2 Rh S2
• Calculated formula: C35 H29 Cl N P2 Rh S2
• SMILES: [RhH]12(Cl)([P](Sc3cccc(S[P]1(c1ccccc1)c1ccccc1)c23)(c1ccccc1)c1ccccc1)[n]1ccccc1
• Title of publication: Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights
• Authors of publication: Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 3514 - 3526
• a: 9.2984 ± 0.0002 Å
• b: 15.248 ± 0.0003 Å
• c: 22.7278 ± 0.0004 Å
• α: 90°
• β: 100.479 ± 0.001°
• γ: 90°
• Cell volume: 3168.65 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0233
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No