Information card for entry 2200787

Structure parameters

• Common name: [CdBr4] [CdBr3] + 3 DEAH
• Formula: C12 H36 Br7 Cd2 N3
• Calculated formula: C12 H36 Br7 Cd2 N3
• SMILES: [Cd](Br)(Br)([Br-])[Br-].[Cd]12([Br][Cd]([Br]1)[Br]2)(Br)(Br)Br.[Cd](Br)(Br)([Br-])[Br-].[NH2+](CC)CC.[NH2+](CC)CC.[NH2+](CC)CC.[NH2+](CC)CC.[NH2+](CC)CC.[NH2+](CC)CC
• Title of publication: Diethylammonium heptabromidedicadmium(II)
• Authors of publication: Willett, Roger D.; Twamley, Brendan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: m573 - m575
• a: 15.5665 ± 0.0011 Å
• b: 15.5665 ± 0.0011 Å
• c: 6.7777 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1422.31 ± 0.19 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes