Information card for entry 7008293

Structure parameters

• Formula: C40 H34 B Mn O2
• Calculated formula: C40 H34 B Mn O2
• SMILES: C(#[O])[Mn]1234(C#[O])(#Cc5ccc(cc5)C)[c]5([cH]1[cH]2[cH]3[cH]45)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Subtle reactivity patterns of non-heteroatom-substituted manganese alkynyl carbene complexes in the presence of phosphorus probes.
• Authors of publication: Ortin, Yannick; Lugan, Noêl; Mathieu, René
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1620 - 1636
• a: 8.9056 ± 0.0007 Å
• b: 27.574 ± 0.002 Å
• c: 13.2761 ± 0.0011 Å
• α: 90°
• β: 100.188 ± 0.01°
• γ: 90°
• Cell volume: 3208.7 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No