Information card for entry 7247036

Structure parameters

• Chemical name: Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate
• Formula: C91 H62 Cl4 Cr Ir4 N8 O11 Sn
• Calculated formula: C91 H62 Cl4 Cr Ir4 N8 O11 Sn
• Title of publication: Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments
• Authors of publication: Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 33
• Pages of publication: 4620 - 4637
• a: 16.1813 ± 0.0018 Å
• b: 14.7119 ± 0.0008 Å
• c: 37.959 ± 0.002 Å
• α: 109.856 ± 0.005°
• β: 98.694 ± 0.007°
• γ: 95.271 ± 0.007°
• Cell volume: 8301.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2689
• Residual factor for significantly intense reflections: 0.1638
• Weighted residual factors for significantly intense reflections: 0.3552
• Weighted residual factors for all reflections included in the refinement: 0.3897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No