Information card for entry 2241846

Structure parameters

• Chemical name: <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)]
• Formula: C22 H48 Cl4 Cr2 N8 O12
• Calculated formula: C22 H48 Cl4 Cr2 N8 O12
• SMILES: C1[NH]2CCC[NH]3CC[NH]4[Cr]523(OC(=O)C(=O)O5)[NH](CCC4)C1.C1[NH]2CCC[NH]3CC[NH]4[Cr]23(Cl)([NH](CCC4)C1)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Crystal structure of <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)] diperchlorate from synchrotron data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1417 - 1420
• a: 18.599 ± 0.004 Å
• b: 26.986 ± 0.005 Å
• c: 14.042 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7048 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.67 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes