Information card for entry 7008292

Structure parameters

• Formula: C35 H40 Mn O2 P
• Calculated formula: C35 H40 Mn O2 P
• SMILES: C(#[O])[Mn]1234567(C(=O)C1([CH]2=[C]3(c1ccccc1)P(C1CCCCC1)C1CCCCC1)c1ccccc1)[c]1([cH]4[cH]5[cH]6[cH]71)C
• 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: 10.749 ± 0.005 Å
• b: 11.05 ± 0.005 Å
• c: 13.349 ± 0.005 Å
• α: 74.299 ± 0.005°
• β: 83.501 ± 0.005°
• γ: 71.477 ± 0.005°
• Cell volume: 1446.7 ± 1.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No