Information card for entry 7045050

Structure parameters

• Formula: C48 H35 Cl5 Cr N8 Sn
• Calculated formula: C48 H35 Cl5 Cr N8 Sn
• SMILES: [Sn]123([Cl][Cr]4567(Cl)(Cl)[c]8([c]7([c]6([c]5([c]48C)C)C)C)C)[n]4c5=Nc6n3c(N=c3[n]2c(N=c2n1c(=Nc4c1c5cccc1)c1c2cccc1)c1c3cccc1)c1c6cccc1.Clc1c(Cl)cccc1
• Title of publication: Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes (M = Cr^II and Co^II). Strong magnetic coupling of spins in (Cp*₂Co⁺){Sn^IVCl₂(Pc˙^3-)}˙^-·2C₆H₄Cl₂.
• Authors of publication: Konarev, Dmitri V.; Troyanov, Sergey I.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1243 - 1250
• a: 10.086 ± 0.001 Å
• b: 13.211 ± 0.001 Å
• c: 16.647 ± 0.001 Å
• α: 82.58 ± 0.006°
• β: 78.88 ± 0.007°
• γ: 85.73 ± 0.005°
• Cell volume: 2155.5 ± 0.3 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: 0.0653
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.87313 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No