Information card for entry 4504334

Structure parameters

• Formula: C37 H46 Cl Mn2 N7 O15.5
• Calculated formula: C37 H43 Cl Mn2 N7 O15.365
• Title of publication: Supramolecular Dimers and Chains Resulting from Second Coordination Sphere Interactions
• Authors of publication: Nastase, Silviu; Tuna, Floriana; Maxim, Catalin; Muryn, Christopher A.; Avarvari, Narcis; Winpenny, Richard E. P.; Andruh, Marius
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1825
• a: 12.2204 ± 0.0015 Å
• b: 13.387 ± 0.003 Å
• c: 14.26 ± 0.003 Å
• α: 115.38 ± 0.02°
• β: 95.156 ± 0.012°
• γ: 91.053 ± 0.013°
• Cell volume: 2095 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No