Information card for entry 7031052

Structure parameters

• Formula: C112 H124 Li4 N4 P4
• Calculated formula: C112 H124 Li4 N4 P4
• SMILES: P1([N]2([Li]3[C]45=P([N]3(c3c(cccc3C(C)C)C(C)C)[Li]2[C]2=1P(=[N]([Li][N]([Li]24)(=P5(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• 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: 14.535 ± 0.003 Å
• b: 15.354 ± 0.003 Å
• c: 20.933 ± 0.004 Å
• α: 95.61 ± 0.03°
• β: 90.64 ± 0.03°
• γ: 93.36 ± 0.03°
• Cell volume: 4640.6 ± 1.6 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: 0.0714
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No