Information card for entry 4346668

Structure parameters

• Formula: C66 H71 Cl4 N10 Na O6 Rh Sn
• Calculated formula: C66 H71 Cl4 N10 Na O6 Rh Sn
• SMILES: c12=Nc3c4c(c5n3[Sn]36([n]2c(c2c1cccc2)N=c1c2c(c(=Nc7c8c(c(=N5)[n]67)cccc8)n31)cccc2)[Rh]1235([c]6([c]5([c]3([c]2([c]16C)C)C)C)C)(Cl)Cl)cccc4.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[Na]2356781.Clc1c(Cl)cccc1
• 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: 13.0896 ± 0.0001 Å
• b: 26.0217 ± 0.0003 Å
• c: 18.9023 ± 0.0002 Å
• α: 90°
• β: 95.741 ± 0.001°
• γ: 90°
• Cell volume: 6406.09 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No