Information card for entry 7709204

Structure parameters

• Formula: C134 H120 Cl8 Cs K N20 O22 Ru3 Sn2
• Calculated formula: C128 H116 Cl6 Cs K N20 O22 Ru3 Sn2
• SMILES: [Cs]12345[O]6CCN7CC[O]2CC[O]3CCN(CC[O]1CC6)CC[O]5CC[O]4CC7.[Sn]123([Ru]4([Ru]([Sn]567[n]8c9=Nc%10n7c(N=c7[n]6c(N=c6n5c(=Nc8c5c9cccc5)c5ccccc65)c5ccccc75)c5ccccc%105)([Ru]4(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.[K]12345[O]6CCN7CC[O]2CC[O]3CCN(CC[O]1CC6)CC[O]5CC[O]4CC7.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1
• Title of publication: Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties
• Authors of publication: Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 26.2701 ± 0.0004 Å
• b: 22.9467 ± 0.0005 Å
• c: 22.6093 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13629.2 ± 0.4 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No