Information card for entry 4335534

Structure parameters

• Formula: C208 H132 Cl16 Dy N20 O20 Y
• Calculated formula: C208 H124 Cl16 Dy N20 O20 Y
• SMILES: [n]12[Y]34567([n]8c9N=c%10n4c(=Nc2c2c(c1=Nc1n3c(N=c8c3c9cc(c(Oc4ccccc4)c3)Oc3ccccc3)c3cc(c(Oc4ccccc4)cc13)Oc1ccccc1)cc(c(Oc1ccccc1)c2)Oc1ccccc1)c1cc(c(Oc2ccccc2)cc%101)Oc1ccccc1)[n]12[Dy]3489%10([n]%11c%12=C(c%13ccc(C(=c%14ccc(C(=c%15ccc(=C(c%11cc%12)c%11ccc(cc%11)Cl)n4%15)c4ccc(cc4)Cl)[n]3%14)c3ccc(cc3)Cl)n8%13)c3ccc(cc3)Cl)[n]35c4c5cc(Oc8ccccc8)c(Oc8ccccc8)cc5c3N=c3[n]7%10c(N=c1c1cc(Oc5ccccc5)c(Oc5ccccc5)cc1c2=Nc1[n]69c(=N4)c2c1cc(Oc1ccccc1)c(Oc1ccccc1)c2)c1c3cc(Oc2ccccc2)c(Oc2ccccc2)c1.C(Cl)(Cl)Cl.O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O.O.O
• Title of publication: Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature
• Authors of publication: Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8505 - 8510
• a: 24.469 ± 0.0004 Å
• b: 24.469 ± 0.0004 Å
• c: 17.8752 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10702.5 ± 0.8 ų
• Cell temperature: 100 ± 10 K
• Ambient diffraction temperature: 100 ± 10 K
• Number of distinct elements: 7
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.3115
• Weighted residual factors for all reflections included in the refinement: 0.3297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No