Information card for entry 4080113

Structure parameters

• Formula: C31 H37 N2 Yb
• Calculated formula: C31 H37 N2 Yb
• SMILES: [Yb]123456789(n%10c%11c%12[n]1cccc%12cc%11ccc%10)([c]1([c]6([c]7([c]3([c]21C)C)C)C)C)[c]1([c]8([c]9([c]5([c]41C)C)C)C)C
• Title of publication: Thermal Dihydrogen Elimination from Cp*2Yb(4,5-diazafluorene)
• Authors of publication: Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1150 - 1158
• a: 9.32 ± 0.0009 Å
• b: 9.6463 ± 0.0009 Å
• c: 15.0326 ± 0.0015 Å
• α: 76.201 ± 0.001°
• β: 83.494 ± 0.001°
• γ: 74.153 ± 0.001°
• Cell volume: 1260.9 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No