Information card for entry 4346669

Structure parameters

• Formula: C69 H41 N8 O2 Ru Sn
• Calculated formula: C69 H41 N8 O2 Ru Sn
• SMILES: N1=c2c3c(cccc3)c3=Nc4c5ccccc5c5=Nc6n7[Sn](n23)([n]45)([n]2c1c1ccccc1c2=Nc7c1c6cccc1)[Ru]1234([c]5(c6ccccc6)[c]1(c1ccccc1)[c]4([c]2([c]35c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])C#[O]
• 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: 11.9653 ± 0.0004 Å
• b: 12.4086 ± 0.0005 Å
• c: 19.4571 ± 0.0006 Å
• α: 75.005 ± 0.003°
• β: 72.626 ± 0.003°
• γ: 73.457 ± 0.003°
• Cell volume: 2594.84 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No