Information card for entry 2016464

Structure parameters

• Chemical name: bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(IV) acetonitrile monosolvate
• Formula: C6 H15 Mo N5 O2 S2
• Calculated formula: C6 H15 Mo N5 O2 S2
• SMILES: [Mo]12(SCC[NH2]1)(SCC[NH2]2)(N=O)N=O.N#CC
• Title of publication: Bis(glycinato-κ^2^<i>N</i>,<i>O</i>)dinitrosylmolybdenum(0) and bis(2-aminoethanethiolato-κ^2^<i>N</i>,<i>S</i>)dinitrosylmolybdenum(0) acetonitrile monosolvate
• Authors of publication: Bucher, Jolanta; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m87 - m90
• a: 8.866 ± 0.0007 Å
• b: 8.598 ± 0.0007 Å
• c: 18.0218 ± 0.0016 Å
• α: 90°
• β: 102.487 ± 0.01°
• γ: 90°
• Cell volume: 1341.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes