Information card for entry 7125476

Structure parameters

• Formula: C29 H20 Mn2 O4
• Calculated formula: C29 H20 Mn2 O4
• Title of publication: Dynamic equilibration of eta 1-carbene and eta 2-alkyne moieties within an alkynylcarbene dimanganese complex.
• Authors of publication: Ortin, Y.; Copple, Y.; Lugan, N.; Mathieu, R.; McGlinchey, M. J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1690 - 1691
• a: 12.8434 ± 0.0017 Å
• b: 8.3575 ± 0.001 Å
• c: 22.265 ± 0.006 Å
• α: 90°
• β: 97.62 ± 0.03°
• γ: 90°
• Cell volume: 2368.8 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No