Information card for entry 2007954

Structure parameters

• Common name: Bis[cadmium(en)3]-tetraiodocadmat-diiodid
• Chemical name: Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid
• Formula: C12 H48 Cd3 I6 N12
• Calculated formula: C12 H48 Cd3 I6 N12
• SMILES: C1C[NH2][Cd]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[I-].[Cd](I)(I)([I-])[I-].C1C[NH2][Cd]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[I-]
• Title of publication: Bis[tris(1,2-ethandiamin)cadmium]-tetraiodocadmat-diiodid
• Authors of publication: Wieczorrek, Carsten; Tebbe, Karl-Friedrich
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1804 - 1807
• a: 15.081 ± 0.001 Å
• b: 15.081 ± 0.001 Å
• c: 16.979 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3861.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No