Information card for entry 4317820

Structure parameters

• Formula: C48 H38 Cl N4 O2 Yb
• Calculated formula: C48 H38 Cl N4 O2 Yb
• SMILES: [Yb]1234(Cl)([O](CC[O]1C)C)n1c5=C(c6[n]4c(=C(c4n3c(C(=c3[n]2c(C(=c1cc5)c1ccccc1)cc3)c1ccccc1)cc4)c1ccccc1)cc6)c1ccccc1
• Title of publication: Synthesis of Ln(III) Chloride Tetraphenylporphyrin Complexes
• Authors of publication: Timothy J. Foley; Khalil A. Abboud; James M. Boncella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1704 - 1706
• a: 12.5879 ± 0.0005 Å
• b: 24.955 ± 0.001 Å
• c: 14.0773 ± 0.0006 Å
• α: 90°
• β: 114.64 ± 0.001°
• γ: 90°
• Cell volume: 4019.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No