Information card for entry 7713621

Structure parameters

• Formula: C36 H16 Co In N8 O4
• Calculated formula: C36 H16 Co In N8 O4
• SMILES: [In]123(n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1c2cccc1)c1c3cccc1)c1c6cccc1)[Co](C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.382 ± 0.005 Å
• b: 10.695 ± 0.005 Å
• c: 14.477 ± 0.005 Å
• α: 109.71 ± 0.005°
• β: 90.014 ± 0.005°
• γ: 94.33 ± 0.005°
• Cell volume: 1508.4 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0509
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1169
• 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