Information card for entry 7104093

Structure parameters

• Formula: C69 H51 Mn3 O6
• Calculated formula: C69 H51 Mn3 O6
• Title of publication: Electrocatalytic dimerisation of non-heteroatom-substituted manganese alkynylcarbene complexes.
• Authors of publication: Ortin, Yannick; Sournia-Saquet, Alix; Lugan, Noël; Mathieu, René
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1060 - 1061
• a: 10.816 ± 0.0013 Å
• b: 18.331 ± 0.0018 Å
• c: 28.208 ± 0.004 Å
• α: 90°
• β: 100.244 ± 0.015°
• γ: 90°
• Cell volume: 5503.6 ± 1.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113886
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No