Information card for entry 4063201

Structure parameters

• Formula: C58 H64 N4 Na2 O4 Yb
• Calculated formula: C58 H64 N4 Na2 O4 Yb
• SMILES: [Yb]123456789%10([N]%11%12[Na]([O]%17CCCC%17)([O]%17CCCC%17)[N]%171[CH]3=[CH]4[CH]5=[C]6%17C(C%12=CC=C%11)(c1ccccc1)c1ccccc1)[N]13[Na]([O]%12CCCC%12)([O]%12CCCC%12)[N]%122[CH]7=[CH]8[CH]9=[C]%10%12C(C3=CC=C1)(c1ccccc1)c1ccccc1
• Title of publication: Monomeric and Octameric Divalent Ytterbium Complexes of Diphenylmethyl Dipyrrolyl Dianion
• Authors of publication: Tiffany Dube; Dominique Freckmann; Sabrina Conoci; Sandro Gambarotta; Glenn P. A. Yap
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Pages of publication: 209 - 211
• a: 10.758 ± 0.004 Å
• b: 10.987 ± 0.004 Å
• c: 24.968 ± 0.009 Å
• α: 91.809 ± 0.005°
• β: 96.237 ± 0.005°
• γ: 116.248 ± 0.005°
• Cell volume: 2621 ± 2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No