Information card for entry 4072892

Structure parameters

• Formula: C70 H58 Mn2 N6 O6 P4 S4
• Calculated formula: C70 H58 Mn2 N6 O6 P4 S4
• SMILES: [Mn]1(P(=NC(=C([P]1(c1ccccc1)c1ccccc1)SC#N)SSC1N=P([Mn]([P](C=1SC#N)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C
• Title of publication: Thiocyanogen Insertion into P−C Bonds of Diphosphinomethanide Complexes, Leading to Rare Functionalized Diphosphine and Tetraphosphine Ligands
• Authors of publication: Ruiz, Javier; Quesada, Roberto; Vivanco, Marilín; García-Granda, Santiago; Díaz, M. Rosario
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1703
• a: 11.1915 ± 0.0007 Å
• b: 17.3864 ± 0.0007 Å
• c: 18.9243 ± 0.0009 Å
• α: 104.54 ± 0.003°
• β: 94.546 ± 0.005°
• γ: 90.072 ± 0.005°
• Cell volume: 3552.3 ± 0.3 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: 0.0732
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No