Information card for entry 4347760

Structure parameters

• Common name: 2(thf)
• Formula: C28 H30 N2 P2 Sn
• Calculated formula: C28 H30 N2 P2 Sn
• SMILES: [Sn](P(c1c(N(C)C)cccc1)c1ccccc1)P(c1c(N(C)C)cccc1)c1ccccc1
• Title of publication: Intermolecular (119)Sn,(31)P Through-Space Spin-Spin Coupling in a Solid Bivalent Tin Phosphido Complex.
• Authors of publication: Arras, Janet; Eichele, Klaus; Maryasin, Boris; Schubert, Hartmut; Ochsenfeld, Christian; Wesemann, Lars
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4669 - 4675
• a: 21.082 ± 0.002 Å
• b: 21.082 ± 0.002 Å
• c: 11.5882 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5150.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No