Information card for entry 2013260

Structure parameters

• Chemical name: {2-[1-acetyl-5-(2-hydroxyphenyl)-4-phenyl-1,2,4-diazaphospholan-3-yl]phenyl acetate-κP}chloro(cycloocta-1,5-diene-κ^4^C^1^,C^2^,C^5^,C^6^)rhodium(I) dichloromethane solvate
• Formula: C33 H37 Cl3 N2 O4 P Rh
• Calculated formula: C33 H37 Cl3 N2 O4 P Rh
• SMILES: [Rh]123(Cl)([CH]4CC[CH]1=[CH]2CC[CH]3=4)[P]1(C(NN(C1c1ccccc1O)C(=O)C)c1ccccc1OC(=O)C)c1ccccc1.ClCCl
• Title of publication: A 1,2,4-diazaphospholane complex of rhodium
• Authors of publication: Clark, Robert W.; Guzei, Ilia A.; Jin, Wiechang C.; Landis, Clark R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m144 - m145
• a: 11.642 ± 0.0005 Å
• b: 11.8755 ± 0.0005 Å
• c: 12.7087 ± 0.0006 Å
• α: 102.261 ± 0.01°
• β: 103.03 ± 0.01°
• γ: 95.789 ± 0.01°
• Cell volume: 1652.21 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes