Information card for entry 4072894

Structure parameters

• Formula: C34 H26 Mn N3 O5 P2 S2
• Calculated formula: C34 H26 Mn N3 O5 P2 S2
• SMILES: [Mn]1(P(=NC2=C(SC(S2)=[N+](C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].N#C[O-]
• 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: 10.5186 ± 0.0007 Å
• b: 10.7753 ± 0.0006 Å
• c: 15.0216 ± 0.001 Å
• α: 93.073 ± 0.005°
• β: 95.253 ± 0.004°
• γ: 92.24 ± 0.04°
• Cell volume: 1691.32 ± 0.19 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: 0.0731
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No