Information card for entry 8102120

Structure parameters

• Chemical name: (η^4^-cyclo-octa-1,5-dien)-N-(2-(diphenylphosphinooxy)-3-(naphthalen-1- yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine-rhodium(I) tetrafluoroborate
• Formula: C50 H55 B F4 N O2 P2 Rh
• Calculated formula: C50 H55 B F4 N O2 P2 Rh
• SMILES: [Rh]1234([P](O[C@@H](CN([P]1(c1ccccc1)c1ccccc1)C(CC)CC)COc1cccc5ccccc15)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of (h^4^-cycloocta-1,5-dien)-N-(2-(diphenylphosphinooxy)- 3-(naphthalen-1-yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine- rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~42~H~43~NO~2~P~2~)] [BF~4~]
• Authors of publication: Dai, Z.; Heller, D.; Preetz, A.; Drexler, H.-J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 2
• Pages of publication: 111 - 113
• a: 12.722 ± 0.003 Å
• b: 15.248 ± 0.003 Å
• c: 12.818 ± 0.003 Å
• α: 90°
• β: 115.8 ± 0.03°
• γ: 90°
• Cell volume: 2238.6 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No