Information card for entry 1559463

Structure parameters

• Common name: {trans[Cr(cyclam)(NH3)O]2CO}I4.2H2O
• Formula: C21 H58 Cr2 I4 N10 O5
• Calculated formula: C21 Cr2 I4 N10 O5
• SMILES: [I-].[I-].[I-].[I-].[Cr]123(OC(=O)O[Cr]456([NH]7CC[NH]4CCC[NH]5CC[NH]6CCC7)[NH3])([NH3])[NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4.O.O
• Title of publication: Structure, Magnetic Susceptibility, and EPR Spectra of a Dimeric Macrocyclic Chromium(III) Complex Bridged by a Single Carbonate Ligand
• Authors of publication: Bang, E.; Eriksen, J.; Glerup, J.; Monsted, L.; Monsted, O.; Weihe, H.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 367 - 372
• a: 9.368 ± 0.005 Å
• b: 21.977 ± 0.005 Å
• c: 19.341 ± 0.004 Å
• α: 90°
• β: 96.45 ± 0.02°
• γ: 90°
• Cell volume: 3957 ± 2 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No