Information card for entry 7008815

Structure parameters

• Formula: C200 H216 Cu14 O28 P14 S14
• Calculated formula: C200 H216 Cu14 O28 P14 S14
• SMILES: c1(ccc(cc1)OC)P12=[O][Cu]3([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]45P6(c7ccc(OC)cc7)=[O][Cu]7([P](c8ccccc8)(c8ccccc8)c8ccccc8)[O]=P(OC(=O)C)(c8ccc(OC)cc8)[S]3[Cu]3([P](c8ccccc8)(c8ccccc8)c8ccccc8)[S]82[Cu]2[S]9[Cu]%10[S]1[Cu]5[S]1P5(c%11ccc(cc%11)OC)=[O][Cu]%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[S]%12P(OC(=O)C)(c%13ccc(OC)cc%13)=[O][Cu]%13([P](c%14ccccc%14)(c%14ccccc%14)c%14ccccc%14)[S]5%10[Cu]5[S]%10(P9(=[O]%13)c9ccc(OC)cc9)[Cu]%12([P](c9ccccc9)(c9ccccc9)c9ccccc9)[O]=P9(c%12ccc(cc%12)OC)[S]%12[Cu]%10[S]2P(c2ccc(OC)cc2)(=[O]3)[S]27[Cu]%12([S]6[Cu]1[S]59%11)[Cu]482.C1OCCC1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: A strategy for the build-up of transition-metal complexes containing tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).
• Authors of publication: Shi, Weifeng; Shafaei-Fallah, Maryam; Anson, Christopher E.; Rothenberger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 24
• Pages of publication: 3909 - 3912
• a: 17.1353 ± 0.0009 Å
• b: 19.6186 ± 0.001 Å
• c: 20.0847 ± 0.0011 Å
• α: 95.756 ± 0.004°
• β: 111.961 ± 0.004°
• γ: 113.646 ± 0.004°
• Cell volume: 5481.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1149
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No