Information card for entry 7012634

Structure parameters

• Common name: octa(prolinato)hexacopper(II)- sodium perchrolate methanol water solvate
• Formula: C41 H70 Cl5 Cu6 N8 Na O38
• Calculated formula: C41 H64 Cl5 Cu6 N8 Na O38
• Title of publication: Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3
• Authors of publication: Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2318 - 2324
• a: 13.708 ± 0.001 Å
• b: 13.708 Å
• c: 18.078 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3397 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No