Information card for entry 2235793

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)cadmium]-di-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] dihydrate]
• Formula: C4 H12 Cd N6 O2 S4
• Calculated formula: C4 H12 Cd N6 O2 S4
• SMILES: [Cd]1([S]=C(N)N)([S]=C(N)N)(SC#[N][Cd]([S]=C(N)N)([S]=C(N)N)SC#[N]1)(N=C=S)SC#N.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] dihydrate]
• Authors of publication: Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1051 - m1052
• a: 5.8533 ± 0.0003 Å
• b: 7.3527 ± 0.0003 Å
• c: 8.863 ± 0.0004 Å
• α: 73.413 ± 0.004°
• β: 76.926 ± 0.004°
• γ: 88.856 ± 0.004°
• Cell volume: 355.69 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes