Information card for entry 7709205

Structure parameters

• Formula: C69 H50 Cl2 Cr N8 O11 Ru3 Sn
• Calculated formula: C69 H50 Cl2 Cr N8 O11 Ru3 Sn
• SMILES: [Sn]123([Ru]4([Ru]([Ru]4(C#[O])(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.[Cr]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.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: 16.7801 ± 0.0001 Å
• b: 20.0593 ± 0.0001 Å
• c: 19.7671 ± 0.0001 Å
• α: 90°
• β: 94.872 ± 0.001°
• γ: 90°
• Cell volume: 6629.51 ± 0.06 ų
• Cell temperature: 119.95 ± 0.1 K
• Ambient diffraction temperature: 119.95 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No