Information card for entry 7001296

Structure parameters

• Formula: C156 H146 Cl16 Cu10 N10 O22
• Calculated formula: C140 H110 Cu10 N10 O20
• SMILES: C1(=[N]2O[Cu]34[N]5=C([C@H]([O]3[Cu]32[O]([C@H]1c1ccccc1)[Cu]12[N](=C([C@H]([O]2[Cu]26[N](O1)=C(c1ccccc1)[C@@H]([O]6[Cu]16[N](O2)=C([C@H]([O]6[Cu]26[N](O1)=C([C@@H]([O]6[Cu]16[N](=C([C@@H](c7ccccc7)[O]1[Cu]17[N](=C([C@@H]([O]7[Cu]78[N](O1)=C(c1ccccc1)[C@H]([O]8[Cu]1([N](O7)=C([C@@H]([O]41)c1ccccc1)c1ccccc1)O5)c1ccccc1)c1ccccc1)c1ccccc1)O6)c1ccccc1)O2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)O3)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Initial employment of α-benzoin oxime as a route to high-nuclearity metal clusters: decanuclear CuII complexes with a wheel topology
• Authors of publication: Vlahopoulou, Gina C.; Stamatatos, Theocharis C.; Psycharis, Vassilis; Perlepes, Spyros P.; Christou, George
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3646 - 3649
• a: 16.9401 ± 0.0011 Å
• b: 27.9757 ± 0.0018 Å
• c: 16.9907 ± 0.0011 Å
• α: 90°
• β: 91.464 ± 0.001°
• γ: 90°
• Cell volume: 8049.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No