Information card for entry 7714744

Structure parameters

• Chemical name: Tetra-μ3-iodo-tetrakis[(η1-As)-2-methoxy-6-(10H-phenoxarsinin-10-yl)pyridine]-tetracopper (I)
• Formula: C56 H45 As3 Cu4 I4 N4 O6
• Calculated formula: C56 H45 As3 Cu4 I4 N4 O6
• SMILES: [As]1(c2ccccc2Oc2ccccc12)(c1cccc(n1)OC)[Cu]12345[Cu]6789([Cu]%10%111([As]1(c%12ccccc%12Oc%12ccccc1%12)c1cccc(n1)OC)([Cu]26([As]1(c2ccccc2Oc2ccccc12)c1cccc(n1)OC)([I]7%10)([I]3%11)[I]48)[I]59)[N]#CC
• Title of publication: Design of luminescent complexes with different Cu₄I₄ cores based on pyridyl phenoxarsines.
• Authors of publication: Galimova, Milyausha F.; Zueva, Ekaterina M.; Petrova, Maria M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musina, Elvira I.; Musin, Rustem R.; Karasik, Andrey A.; Sinyashin, Oleg G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1087 - 1098
• a: 21.9973 ± 0.0018 Å
• b: 16.6381 ± 0.0012 Å
• c: 17.2785 ± 0.0013 Å
• α: 90°
• β: 109.356 ± 0.003°
• γ: 90°
• Cell volume: 5966.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2119
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No