Information card for entry 4064400

Structure parameters

• Formula: C24 H24 Mn O2 P
• Calculated formula: C24 H24 Mn O2 P
• SMILES: C(#[O])[Mn]123456(C(=O)C1(c1ccccc1)[P]6(c1c(cc(cc1C)C)C)C)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations
• Authors of publication: Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2318
• a: 32.4515 ± 0.0005 Å
• b: 7.56209 ± 0.0001 Å
• c: 8.37152 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.38 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.493
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No