Information card for entry 1540637

Structure parameters

• Formula: C56 H92 Cl2 N8 Nd2 O2
• Calculated formula: C56 H92 Cl2 N8 Nd2 O2
• SMILES: [Nd]123([O]4CCCC4)([N](C(C)C)=C(N2C(C)C)C#CC2CC2)([N](=C(N3C(C)C)C#CC2CC2)C(C)C)[Cl][Nd]23([Cl]1)([O]1CCCC1)([N](=C(N3C(C)C)C#CC1CC1)C(C)C)[N](=C(N2C(C)C)C#CC1CC1)C(C)C
• 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: 10.049 ± 0.002 Å
• b: 11.337 ± 0.002 Å
• c: 14.471 ± 0.003 Å
• α: 82.53 ± 0.03°
• β: 83.02 ± 0.03°
• γ: 73.74 ± 0.03°
• Cell volume: 1563 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No