Information card for entry 7029232

Structure parameters

• Formula: C44 H84 Li4 N4 P4
• Calculated formula: C44 H84 Li4 N4 P4
• SMILES: [Li]1[P](Cc2cccc3c2)([Li]2([P]4(Cc5cccc(c5)C[P]1([Li]1([P](C3)(C(C)(C)C)[Li]4)[N](CC[N]1(C)C)(C)C)C(C)(C)C)C(C)(C)C)[N](C)(C)CC[N]2(C)C)C(C)(C)C
• Title of publication: Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.
• Authors of publication: Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 267 - 276
• a: 16.3704 ± 0.0003 Å
• b: 19.8946 ± 0.0004 Å
• c: 17.438 ± 0.0003 Å
• α: 90°
• β: 113.083 ± 0.001°
• γ: 90°
• Cell volume: 5224.56 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No