Information card for entry 7031055

Structure parameters

• Formula: C63.5 H83.5 Li2 N2 O3.25 P2
• Calculated formula: C61 H78 Li2 N2 O3 P2
• SMILES: P1(=[N]([Li]([O]2CCCC2)N(c2c(cccc2C(C)C)C(C)C)P(=C1[Li]([O]1CCCC1)[O]1CCCC1)(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: 13.234 ± 0.003 Å
• b: 22.502 ± 0.005 Å
• c: 22.674 ± 0.005 Å
• α: 105.93 ± 0.03°
• β: 92.96 ± 0.03°
• γ: 105.66 ± 0.03°
• Cell volume: 6194 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71071 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No