Information card for entry 7012064

Structure parameters

• Formula: C26 H47 As Li2 N2 O3
• Calculated formula: C26 H47 As Li2 N2 O3
• SMILES: [As]1([N]2(C(C)(C)C)[Li]3([N]1(C(C)(C)C)[Li]2([O]13CCCC1)[O]1CCCC1)[O]1CCCC1)c1ccccc1
• Title of publication: A novel route to chalcogenides of heavy pnicogens: synthesis and X-ray structure of {(THF)3Li2[PhAs(Se)(NBut)2]}
• Authors of publication: Briand, Glen G.; Chivers, Tristram; Parvez, Masood
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3785
• a: 18.7419 ± 0.0006 Å
• b: 10.7469 ± 0.0003 Å
• c: 14.6045 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2941.6 ± 0.16 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: 0.058
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No