Information card for entry 4301980

Structure parameters

• Formula: C48 H81 Cl2 Mn3 N24 O7 Zn2
• Calculated formula: C48 H81 Cl2 Mn3 N24 O7 Zn2
• SMILES: c1cccc2c1C(C)=[N]1O[Mn]3456[N](=C(C)c7ccccc7O6)O[Mn]6789[N](=C(C)c%10ccccc%10O9)O[Mn]1([N](=N#N)[Zn]([N]6=N#N)([N]3=N#N)Cl)([N](=N#N)[Zn]([N]7=N#N)([N]4=N#N)Cl)([O]58)O2.C([N+](CC)(CC)CC)C.C([N+](CC)(CC)CC)C.C([N+](CC)(CC)CC)C
• Title of publication: Nanomodulation of Molecular Nanomagnets
• Authors of publication: Patrick L. Feng; Changhyun Koo; John J. Henderson; Motohiro Nakano; Stephen Hill; Enrique del Barco; David N. Hendrickson; Paul Manning
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3480 - 3492
• a: 13.5805 ± 0.0013 Å
• b: 13.5805 ± 0.0013 Å
• c: 61.748 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9862.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No