Information card for entry 1540639

Structure parameters

• Formula: C50 H70 Li2 N4 O2
• Calculated formula: C50 H70 Li2 N4 O2
• SMILES: [Li]12([O]3CCCC3)[N](C3CCCCC3)=C(C#Cc3ccccc3)[N]1(C1CCCCC1)[Li]1([O]3CCCC3)[N](C3CCCCC3)=C(C#Cc3ccccc3)[N]12C1CCCCC1
• Title of publication: New Lanthanide Alkynylamidinates and Diiminophosphinates
• Authors of publication: Sroor, Farid; Hrib, Cristian; Edelmann, Frank
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 429
• a: 9.8768 ± 0.0003 Å
• b: 10.2082 ± 0.0003 Å
• c: 11.6883 ± 0.0004 Å
• α: 104.144 ± 0.003°
• β: 90.248 ± 0.003°
• γ: 104.209 ± 0.002°
• Cell volume: 1105.18 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No