Information card for entry 7709200

Structure parameters

• Formula: C53 H31 Cr0.5 Ir4 N8 O11 Sn
• Calculated formula: C53 H31 Cr0.5 Ir4 N8 O11 Sn
• 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: 23.9498 ± 0.0005 Å
• b: 15.1713 ± 0.0002 Å
• c: 14.5364 ± 0.0004 Å
• α: 90°
• β: 97.584 ± 0.002°
• γ: 90°
• Cell volume: 5235.6 ± 0.2 ų
• Cell temperature: 129.9 ± 0.6 K
• Ambient diffraction temperature: 129.9 ± 0.6 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No