Information card for entry 4114932

Structure parameters

• Formula: C72 H126 Cl3 K Mn Mo6 N36 O12
• Calculated formula: C72 H126 Cl3 K Mn Mo6 N36 O12.04
• Title of publication: A Cyano-Bridged Single-Molecule Magnet: Slow Magnetic Relaxation in a Trigonal Prismatic MnMo6(CN)18 Cluster
• Authors of publication: Jennifer J. Sokol; Allan G. Hee; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7656 - 7657
• a: 14.2312 ± 0.0004 Å
• b: 14.2312 ± 0.0004 Å
• c: 28.1433 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4936.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No