Information card for entry 7062380

Structure parameters

• Formula: C80 H80 Cl22 K2 N12 O12 Sn
• Calculated formula: C80 H80 Cl22 K2 N12 O12 Sn
• Title of publication: Heterotrimetallic paramagnetic complex of ring reduced tin(ii) hexadecachlorophthalocyanine
• Authors of publication: Romanenko, Nikita R.; Faraonov, Maxim A.; Osipov, Nikita G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6924 - 6931
• a: 14.6176 ± 0.0003 Å
• b: 16.7506 ± 0.0003 Å
• c: 19.9647 ± 0.0004 Å
• α: 93.386 ± 0.002°
• β: 97.165 ± 0.002°
• γ: 98.588 ± 0.002°
• Cell volume: 4780.81 ± 0.17 ų
• Cell temperature: 101 ± 1 K
• Ambient diffraction temperature: 101.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No