Information card for entry 7103825

Structure parameters

• Formula: C13 H26 Mn N O5 P2
• Calculated formula: C13 H26 Mn N O5 P2
• SMILES: [Mn]([P](C)(C)C)(P(=O)(C)C)(C#[N]C(C)(C)C)(C#[O])(C#[O])C#[O].O
• Title of publication: P-C versus C-H bond cleavage in coordinated bis(dimethylphosphino)methane: Controlled access to either phosphinite or functionalized diphosphine complexes
• Authors of publication: Javier Ruiz; M Rosario Diaz; Santiago Garcia-granda; Roberto Quesada; Victor Riera
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 10.526 ± 0.002 Å
• b: 14.563 ± 0.01 Å
• c: 14.59 ± 0.03 Å
• α: 108.43 ± 0.08°
• β: 98.34 ± 0.1°
• γ: 98.58 ± 0.07°
• Cell volume: 2054 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No