Information card for entry 7031347

Structure parameters

• Formula: C43 H44 Cl Li N2 O P2
• Calculated formula: C43 H44 Cl Li N2 O P2
• SMILES: ClC1=P(N([Li]([N](c2ccc(cc2)C)=P1(c1ccccc1)c1ccccc1)[O](CC)CC)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and stability of Li/Cl carbenoids based on bis(iminophosphoryl)methanes.
• Authors of publication: Feichtner, Kai-Stephan; Gessner, Viktoria H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14399 - 14408
• a: 9.1841 ± 0.0013 Å
• b: 13.989 ± 0.002 Å
• c: 15.738 ± 0.002 Å
• α: 95.644 ± 0.005°
• β: 105.321 ± 0.005°
• γ: 101.501 ± 0.005°
• Cell volume: 1886.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No