Information card for entry 8101532

Structure parameters

• Formula: C7 H22 Cl Co N4 O5
• Calculated formula: C7 H22 Cl Co N4 O5
• SMILES: [Co]1234(OC(=O)O1)[N](CC[NH2]2)(CC[NH2]3)CC[NH2]4.[Cl-].O.O
• Title of publication: Crystal structure of carbonato[tris(2-aminoethyl)amine]cobalt(III) chloride dihydrate, [Co(tren)CO~3~]Cl · 2 H~2~O
• Authors of publication: Düpre, Y.; Bartscherer, E.; Maas, O.; Sander, J.; Hegetschweiler, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 405 - 405
• a: 11.225 ± 0.002 Å
• b: 14.354 ± 0.003 Å
• c: 16.926 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2727.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0987
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No