Information card for entry 2227143

Structure parameters

• Chemical name: Dicyanidobis(thiourea-κ<i>S</i>)cadmium(II) monohydrate
• Formula: C4 H10 Cd N6 O S2
• Calculated formula: C4 H10 Cd N6 O S2
• SMILES: C(#N)[Cd](C#N)([S]=C(N)N)[S]=C(N)N.O
• Title of publication: Dicyanidobis(thiourea-κ<i>S</i>)cadmium(II) monohydrate
• Authors of publication: Fettouhi, Mohammed; Riaz Malik, Muhammad; Ali, Saqib; A. Isab, Anvarhusein; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m997
• a: 10.5955 ± 0.0006 Å
• b: 4.0782 ± 0.0003 Å
• c: 13.4127 ± 0.0008 Å
• α: 90°
• β: 98.738 ± 0.001°
• γ: 90°
• Cell volume: 572.84 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes