Information card for entry 4319011

Structure parameters

• Formula: C77 H136 Li10 N8 O9 P4
• Calculated formula: C77 H136 Li10 N8 O9 P4
• SMILES: [Li]1([O]2[Li]3[N]4(P([O]56[Li]7([O]8CCCC8)[N]8([Li]5[O]59%103[Li]3[O]([Li]([O]%11CCCC%11)[N](=P%11([O]%12%13[Li]%14([N](P2(=[N]%14(C(C)(C)C)[Li]5%12)c2ccccc2)(C(C)(C)C)[Li]%10%13[N]3%11C(C)(C)C)[O]2CCCC2)c2ccccc2)C(C)(C)C)P8(=[N]7(C(C)(C)C)[Li]469)c2ccccc2)C(C)(C)C)(=[N]1C(C)(C)C)c1ccccc1)C(C)(C)C)[O]1CCCC1.CCCCC
• Title of publication: Synthesis and X-ray Structures of Dilithium Complexes of the Phosphonate Anions [PhP(E)(NtBu)2]2- (E = O, S, Se, Te) and Dimethylaluminum Derivatives of [PhP(E)(NtBu)(NHtBu)]- (E = S, Se)
• Authors of publication: Glen G. Briand; Tristram Chivers; Mark Krahn; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6808 - 6815
• a: 15.8348 ± 0.0002 Å
• b: 15.9927 ± 0.0002 Å
• c: 20.2186 ± 0.0003 Å
• α: 102.23 ± 0.001°
• β: 111.629 ± 0.001°
• γ: 99.731 ± 0.001°
• Cell volume: 4476.28 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No