Information card for entry 7713620

Structure parameters

• Formula: C69 H54 Cl4 Cr In Mn N8 O5
• Calculated formula: C69 H54 Cl4 Cr In Mn N8 O5
• Title of publication: Bimetallic neutral and anionic complexes of transition metal (Co, Mn) carbonyls with indium (III) phthalocyanine
• Authors of publication: Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Yakushev, Ilya A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.0873 ± 0.0004 Å
• b: 13.0873 ± 0.0004 Å
• c: 36.3217 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6221.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No