Information card for entry 7005506

Structure parameters

• Common name: Dimethoxyethane-lithium-eta$5-2-(1,3-dimesityl-1,3,2- diazaphospholenyl)-cyclopentadienide
• Chemical name: Dimethoxyethane-lithium-eta^5-2-(1,3-dimesityl-1,3,2-diazaphospholenyl)- cyclopentadienide
• Formula: C29 H38 Li N2 O2 P
• Calculated formula: C29 H38 Li N2 O2 P
• SMILES: p1(n(ccn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Li]12345[O](C)CC[O]1C
• Title of publication: Structures, dynamic behaviour, and reactivity of P-cyclopentadienyl-substituted 1,3,2-diazaphospholenes
• Authors of publication: Sebastian Burck; Dietrich Gudat; Martin Nieger; Jürgen Tirreé
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1891
• a: 8.595 ± 0.0003 Å
• b: 21.7213 ± 0.0008 Å
• c: 14.6049 ± 0.0006 Å
• α: 90°
• β: 92.711 ± 0.002°
• γ: 90°
• Cell volume: 2723.6 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No