Information card for entry 7001955

Structure parameters

• Formula: C41 H32 Au Cl Mn N4 O7 P
• Calculated formula: C41 H32 Au Cl Mn N4 O7 P
• SMILES: [Mn]1([n]2c(n(c(c2)C)c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2c2cccc[n]12)(C#[O])(C#[O])C#[O].Cl(=O)(=O)(=O)[O-]
• 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: 13.6998 ± 0.0003 Å
• b: 16.4964 ± 0.0004 Å
• c: 34.3632 ± 0.0008 Å
• α: 90°
• β: 95.51 ± 0.002°
• γ: 90°
• Cell volume: 7730.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No