Information card for entry 7004676

Structure parameters

• Formula: C18 H38 Li2 N4 P2
• Calculated formula: C18 H38 Li2 N4 P2
• SMILES: [PH]12[Li]3([PH]([Li]41[N](C)(C)CC[N]4(C)C)c1c2cccc1)[N](C)(C)CC[N]3(C)C
• Title of publication: A mechanistic study of the C‒P bond cleavage reaction of 1,2-(PH2)2-C6H4 with nBuLi/Sb(NMe2)3
• Authors of publication: Edge, Ruth; Less, Robert J.; Naseri, Vesal; McInnes, Eric J. L.; Mulvey, Robert E.; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 6454 - 6460
• a: 8.4325 ± 0.0003 Å
• b: 25.183 ± 0.001 Å
• c: 11.7383 ± 0.0005 Å
• α: 90°
• β: 106.45 ± 0.002°
• γ: 90°
• Cell volume: 2390.66 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No