Information card for entry 4346667

Structure parameters

• Formula: C110 H87 Cl7 Mo N18 Na O8 Sn2
• Calculated formula: C110 H87 Cl7 Mo N18 Na O8 Sn2
• SMILES: [Mo]1234([Sn]567[n]8c9c%10ccccc%10c8=Nc8c%10c(c(N=c%11c%12c(c(N=c%13c%14c(cccc%14)c(=N9)n5%13)[n]6%11)cccc%12)n78)cccc%10)([Sn]567[n]8c9c%10c(c8=Nc8c%11c(c(N=c%12c%13c(c(N=c%14c%15ccccc%15c(=N9)[n]5%14)[n]6%12)cccc%13)n78)cccc%11)cccc%10)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.c1(c(cccc1)Cl)Cl.c1(Cl)ccccc1Cl.c1(c(cccc1)Cl)Cl.c1(c(Cl)cccc1)Cl.C1C[O]2[Na]345678[O](CC[N]59CC[O]6CC[O]4CC[N]17CC[O]8CC[O]3CC9)CC2
• 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: 17.0023 ± 0.0004 Å
• b: 17.4314 ± 0.0005 Å
• c: 17.7859 ± 0.0003 Å
• α: 85.695 ± 0.002°
• β: 88.189 ± 0.002°
• γ: 77.512 ± 0.002°
• Cell volume: 5131.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No