Information card for entry 7031342

Structure parameters

• Formula: C46 H54 Cl2 N2 P2
• Calculated formula: C46 H54 Cl2 N2 P2
• SMILES: P(=NC12CC3CC(C1)CC(C2)C3)(CP(=NC12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 10.1916 ± 0.0004 Å
• b: 11.1132 ± 0.0005 Å
• c: 18.1884 ± 0.0007 Å
• α: 90.322 ± 0.001°
• β: 106.202 ± 0.001°
• γ: 91.268 ± 0.001°
• Cell volume: 1977.59 ± 0.14 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: 0.0474
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No