Information card for entry 4321748

Structure parameters

• Formula: C63.5 H88 B3 Cl9 Mo3 N18 O7
• Calculated formula: C63 H80 B3 Cl9 Mo3 N18 O7
• Title of publication: Electrochemical and Magnetic Exchange Interactions in Trinuclear Chain Complexes Containing Oxo-Mo(V) Fragments as a Function of the Topology of the Bridging Ligand
• Authors of publication: Van Ân Ung; Samantha M. Couchman; John C. Jeffery; Jon A. McCleverty; Michael D. Ward; Federico Totti; Dante Gatteschi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 365 - 369
• a: 12.052 ± 0.002 Å
• b: 18.487 ± 0.004 Å
• c: 21.039 ± 0.005 Å
• α: 68.95 ± 0.02°
• β: 86.12 ± 0.02°
• γ: 78.637 ± 0.013°
• Cell volume: 4289 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1994
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections: 0.2634
• Weighted residual factors for significantly intense reflections: 0.1994
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No