Information card for entry 4073789

Structure parameters

• Common name: [(Ph2C-NPh)2-]Yb(2+)(HMPA)3
• Formula: C37 H69 Ca N10 O3 P3
• Calculated formula: C37 H69 Ca N10 O3 P3
• SMILES: [Ca]1(N(C1(c1ccccc1)c1ccccc1)c1ccccc1)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C
• Title of publication: The Azametallacyclopropane Ca(η2-Ph2CNPh)(hmpa)3: A Calcium Alternative to a Versatile Ytterbium(II) Catalyst
• Authors of publication: Buch, Frank; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5132
• a: 11.5977 ± 0.0004 Å
• b: 20.7073 ± 0.0008 Å
• c: 20.6254 ± 0.0007 Å
• α: 90°
• β: 101.527 ± 0.002°
• γ: 90°
• Cell volume: 4853.4 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No