Information card for entry 7103840

Structure parameters

• Formula: C32 H26 Mn N O4 P2 S2
• Calculated formula: C32 H26 Mn N O4 P2 S2
• SMILES: [Mn]1([P](C(SC(=S)N(C)C)=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Dithiocarbamyl-substituted diphosphanylmethanide complexes of manganese(I): A new type of ambivalent metalloligands.
• 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: 10.5648 ± 0.0007 Å
• b: 11.6965 ± 0.0006 Å
• c: 15.042 ± 0.001 Å
• α: 95.264 ± 0.005°
• β: 104.315 ± 0.004°
• γ: 115.24 ± 0.04°
• Cell volume: 1587.29 ± 0.64 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No