Information card for entry 2235076

Structure parameters

• Chemical name: Bis(2,<i>S</i>-dimethyldithiocarbazate- κ^2^<i>N</i>^3^,<i>S</i>)(nitrato-κ<i>O</i>)copper(II) nitrate
• Formula: C6 H16 Cu N6 O6 S4
• Calculated formula: C6 H16 Cu N6 O6 S4
• SMILES: [Cu]12([S]=C(SC)N([NH2]1)C)([S]=C(SC)N([NH2]2)C)ON(=O)=O.O=N(=O)[O-]
• Title of publication: Bis(2,<i>S</i>-dimethyldithiocarbazate-κ^2^<i>N</i>^3^,<i>S</i>)(nitrato-κ<i>O</i>)copper(II) nitrate
• Authors of publication: Hazari, Saroj K. S.; Dey, B. K.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m779 - m780
• a: 11.2716 ± 0.0004 Å
• b: 12.1741 ± 0.0004 Å
• c: 13.897 ± 0.0005 Å
• α: 115.449 ± 0.003°
• β: 100.734 ± 0.003°
• γ: 97.258 ± 0.003°
• Cell volume: 1645.39 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes