Information card for entry 7707034

Structure parameters

• Formula: C48 H48 Li4 N12
• Calculated formula: C48 H48 Li4 N12
• SMILES: [N]123c4[n]([Li]561[n]17c([N]89[Li]%102([n]2c3cccc2C)[N]23%115[Li]5([n]%12c9cccc%12C)([n]9%10c(cccc39)C)[n]3c([N]95[Li]182([n]16c%11cccc1C)[n]1c9cccc1C)cccc3C)cccc7C)c(ccc4)C
• Title of publication: Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.
• Authors of publication: Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6321 - 6332
• a: 11.1572 ± 0.0004 Å
• b: 11.5648 ± 0.0004 Å
• c: 19.6657 ± 0.0007 Å
• α: 79.294 ± 0.002°
• β: 76.67 ± 0.002°
• γ: 62.192 ± 0.002°
• Cell volume: 2174.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2008
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No