Information card for entry 7031057

Structure parameters

• Formula: C61.25 H82.5 Li2 N5 P2
• Calculated formula: C58 H77 Li2 N5 P2
• SMILES: P1(=[N]([Li]2[C]31=P(N([Li]13[N](CC[N]2(C)C)(C)CC[N]1(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, structures and flexible coordination of sterically demanding di- and "tri"-lithiated methandiides.
• Authors of publication: Sindlinger, Christian P.; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14334 - 14345
• a: 12.276 ± 0.003 Å
• b: 15.641 ± 0.003 Å
• c: 19.225 ± 0.004 Å
• α: 70.31 ± 0.03°
• β: 75.6 ± 0.03°
• γ: 82.25 ± 0.03°
• Cell volume: 3361.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No