Information card for entry 2014776

Structure parameters

• Chemical name: nitridobis(2-sulfidopyridine N-oxide)chromium(V)
• Formula: C10 H8 Cr N3 O2 S2
• Calculated formula: C10 H8 Cr N3 O2 S2
• SMILES: [Cr]12(#N)(Sc3[n](=[O]1)cccc3)Sc1[n](=[O]2)cccc1
• Title of publication: Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)
• Authors of publication: Torben Birk; Henning Osholm Sørensen; Jesper Bendix
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m231 - m233
• a: 11.0511 ± 0.0012 Å
• b: 14.1558 ± 0.0012 Å
• c: 15.2486 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2385.4 ± 0.4 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes