Information card for entry 1519893

Structure parameters

• Formula: C34 H36 Mn3 N3 O19 S2
• Calculated formula: C34 H36 Mn3 N3 O19 S2
• Title of publication: C34H36Mn3N3O19S2
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.; Brechin, Euan
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 613
• a: 12.183 Å
• b: 12.325 Å
• c: 16.518 Å
• α: 96.11°
• β: 106.87°
• γ: 114.86°
• Cell volume: 2077.73 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No