Information card for entry 7103841

Structure parameters

• Formula: C36 H33 B Cl4 Cu F4 Mn N2 O4 P2 S2
• Calculated formula: C36 H33 B Cl4 Cu F4 Mn N2 O4 P2 S2
• SMILES: [Cu]1(SC(=[S]C21[P]([Mn]([P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)N(C)C)[N]#CC.[B](F)(F)(F)[F-].ClCCl.ClCCl
• 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: 10.3689 ± 0.0001 Å
• b: 12.91 ± 0.0002 Å
• c: 16.8117 ± 0.0002 Å
• α: 101.757 ± 0.001°
• β: 99.022 ± 0.001°
• γ: 93.981 ± 0.001°
• Cell volume: 2163.99 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 11
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No