Information card for entry 1561513

Structure parameters

• Formula: C23 H37 Cl N P2 Rh S2
• Calculated formula: C23 H37 Cl N P2 Rh S2
• SMILES: [RhH]12(Cl)([P](Sc3cccc(S[P]1(C(C)C)C(C)C)c23)(C(C)C)C(C)C)[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: 18.425 ± 0.0007 Å
• b: 8.8088 ± 0.0004 Å
• c: 17.927 ± 0.0007 Å
• α: 90°
• β: 113.42 ± 0.001°
• γ: 90°
• Cell volume: 2669.89 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No