Information card for entry 7710495

Structure parameters

• Formula: C106 H106 Cl18 Fe K2 N14 Nd2 O12
• Calculated formula: C106 H106 Cl18 Fe K2 N14 Nd2 O12
• Title of publication: Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)
• Authors of publication: Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.2343 ± 0.0003 Å
• b: 19.476 ± 0.0005 Å
• c: 20.9495 ± 0.0006 Å
• α: 108.677 ± 0.003°
• β: 95.219 ± 0.002°
• γ: 110.988 ± 0.002°
• Cell volume: 5698.1 ± 0.3 ų
• Cell temperature: 101 ± 3 K
• Ambient diffraction temperature: 101 ± 3 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No