Information card for entry 4312506

Structure parameters

• Chemical name: bis-pyrrolidinedithiocarbamate-nitridochromium(V)
• Formula: C10 H16 Cr N3 S4
• Calculated formula: C10 H16 Cr N3 S4
• SMILES: [Cr]12([S]=C(S1)N1CCCC1)(SC(=[S]2)N1CCCC1)#N
• Title of publication: Atom Transfer as a Preparative Tool in Coordination Chemistry. Synthesis and Characterization of Cr(V) Nitrido Complexes of Bidentate Ligands
• Authors of publication: Torben Birk; Jesper Bendix
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7608 - 7615
• a: 14.8592 ± 0.0014 Å
• b: 8.5575 ± 0.0005 Å
• c: 11.8267 ± 0.0012 Å
• α: 90°
• β: 106.528 ± 0.007°
• γ: 90°
• Cell volume: 1441.7 ± 0.2 ų
• Cell temperature: 122 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No