Information card for entry 4346664

Structure parameters

• Formula: C56 H56 Cl2 N10 Na O6 Sn
• Calculated formula: C56 H56 Cl2 N10 Na O6 Sn
• SMILES: n12[Sn]34[n]5c6=Nc2c2c(c1N=c1n4c(=Nc4[n]3c(=Nc5c3c6cccc3)c3ccccc43)c3c1cccc3)cccc2.c1(c(cccc1)Cl)Cl.C1C[O]2CC[N]34CC[O]5[Na]678924[O](CC[N]8(CC[O]9CC[O]7CC3)CC[O]16)CC5
• Title of publication: Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1390 - 1402
• a: 13.4963 ± 0.0002 Å
• b: 22.4928 ± 0.0002 Å
• c: 34.7416 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10546.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No