Information card for entry 7110599

Structure parameters

• Formula: C98 H120 N8 Na4 Pr2
• Calculated formula: C98 H120 N8 Na4 Pr2
• SMILES: [c]123C(CC)(CC)c4ccc5C(CC)(CC)[c]67[Pr]89%10%11%12%13%14%152([c]([n]18)([cH]%11[cH]3%14)C(CC)(CC)c1ccc(n91)C([c]%10([n]7%13)[cH]%15[cH]6%12)(CC)CC)(C#C[Pr]1236789%10%11%12%13[c]%14%15C(CC)(CC)c%16ccc(n%11%16)C(CC)(CC)[c]%117[cH]3[cH]%12[c]1([n]9%11)C(c1ccc(C([c]6([n]8%14)[cH]2[cH]%13%15)(CC)CC)n%101)(CC)CC)n45.[Na+].[Na+].[Na+].[Na+].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Lanthanide organometallic chemistry based on the porphyrinogen skeleton: acetylene and ethylene bridging praseodymium and neodymium η5:η1:η5:η1-bonded to meso-octaethylporphyrinogen
• Authors of publication: Campazzi, Elisa; Solari, Euro; Scopelliti, Rosario; Floriani, Carlo
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1617
• a: 15.232 ± 0.001 Å
• b: 15.232 ± 0.001 Å
• c: 18.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4345.4 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No