Information card for entry 2002082

Structure parameters

• Formula: C5 H13 Br2 Cd N S
• Calculated formula: C5 H13 Br2 Cd N S
• SMILES: [Cd](Br)(Br)(SCCC[NH+](C)C)[S]([Cd](Br)Br)CCC[NH+](C)C
• Title of publication: <i>catena</i>-[Cd{μ-S(CH~2~)~3~NHMe~2~}Br~2~]
• Authors of publication: Clegg, W.; Casals, I.; González-Duarte, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 129 - 130
• a: 9.993 ± 0.001 Å
• b: 6.8236 ± 0.0006 Å
• c: 16.398 ± 0.002 Å
• α: 90°
• β: 96 ± 0.01°
• γ: 90°
• Cell volume: 1112 ± 0.2 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.1102
• Goodness-of-fit parameter for all reflections: 1.132
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No