Information card for entry 7031058

Structure parameters

• Formula: C116 H124 Li6 N4 P4
• Calculated formula: C116 H124 Li6 N4 P4
• SMILES: P12(=[N]3([Li]4[N]5(=P6([C]789[Li]5[C]54(=C2C=CC=C5)[Li]8[C]241=P([N]([Li]94[C]1(=CC=CC=C61)[Li]32)([Li][N](=P7(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1.c1ccccc1.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: 27.54 ± 0.006 Å
• b: 14.953 ± 0.003 Å
• c: 25.15 ± 0.005 Å
• α: 90°
• β: 110.97 ± 0.03°
• γ: 90°
• Cell volume: 9671 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No