Information card for entry 4069348

Structure parameters

• Formula: C56 H71 N3 P Rh Si4 Sn
• Calculated formula: C56 H71 N3 P Rh Si4 Sn
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Rh]23456([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn]12N(c3cc(cc(c3)C)C)[Si](C)(C)[Si](C)([Si](C)(C)N1c1cc(cc(c1)C)C)[Si](C)(C)N2c1cc(cc(c1)C)C)C
• Title of publication: Titanium Hydrazinediido Half-Sandwich Complexes: Highly Active Catalysts for the Hydrohydrazination of Terminal Alkynes at Ambient Temperature
• Authors of publication: Weitershaus, Katharina; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3381
• a: 22.0619 ± 0.0013 Å
• b: 12.6454 ± 0.0007 Å
• c: 21.1702 ± 0.0012 Å
• α: 90°
• β: 110.265 ± 0.001°
• γ: 90°
• Cell volume: 5540.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No