Information card for entry 4303903

Structure parameters

• Formula: C31 H37 Li N2 P2 Se2
• Calculated formula: C31 H37 Li N2 P2 Se2
• SMILES: [Se]1P(=CP(=[Se][Li]21[N](C)(C)CC[N]2(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural and Spectroscopic Studies of the PCP-Bridged Heavy Chalcogen-Centered Monoanions [HC(PPh2E)(PPh2)]- (E = Se, Te) and [HC(PR2E)2]- (E = Se, Te, R = Ph; E = Se, R =iPr): Homoleptic Group 12 Complexes and One-Electron Oxidation of [HC(PR2Se)2]-
• Authors of publication: Jari Konu; Heikki M. Tuononen; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11788 - 11798
• a: 19.73 ± 0.004 Å
• b: 17.919 ± 0.004 Å
• c: 9.0249 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No