Information card for entry 7001954

Structure parameters

• Formula: C21 H16 F6 Mn N4 O3 P
• Calculated formula: C21 H16 F6 Mn N4 O3 P
• SMILES: [Mn]1(=C2N(c3c(N2)cccc3)C)([n]2ccccc2c2cccc[n]12)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: NHC‒manganese(i) complexes as carbene transfer agents
• Authors of publication: Ruiz, Javier; Berros, Ángela; Perandones, Bernabé F.; Vivanco, Marilín
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6999
• a: 17.9823 ± 0.0007 Å
• b: 20.1857 ± 0.0009 Å
• c: 12.4699 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4526.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No