Information card for entry 7004677

Structure parameters

• Formula: C30 H54 Li2 N6 P4
• Calculated formula: C30 H54 Li2 N6 P4
• SMILES: P1(P2P(P([Li]34[N](C)(C)CC[N]3(C)CC[N]4(C)C)c3c2cccc3)c2c1cccc2)[Li]12[N](C)(C)CC[N]1(C)CC[N]2(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: 15.2198 ± 0.0003 Å
• b: 15.4779 ± 0.0003 Å
• c: 16.4017 ± 0.0004 Å
• α: 90°
• β: 107.777 ± 0.001°
• γ: 90°
• Cell volume: 3679.27 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No