Information card for entry 2237412

Structure parameters

• Chemical name: [μ-6,9-Bis(carboxylatomethyl)-3,12-bis(carboxymethyl)-3,6,9,12- tetraazatetradecanedioato]bis[aquacobalt(II)] tetrahydrate
• Formula: C18 H38 Co2 N4 O18
• Calculated formula: C18 H38 Co2 N4 O18
• Title of publication: [μ-6,9-Bis(carboxylatomethyl)-3,12-bis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato]bis[aquacobalt(II)] tetrahydrate
• Authors of publication: Qian, Qi-feng; Wu, Jin-hui; Qian, Jin-liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m97
• a: 7.0972 ± 0.0015 Å
• b: 8.7025 ± 0.0019 Å
• c: 11.968 ± 0.003 Å
• α: 104.238 ± 0.004°
• β: 100.986 ± 0.003°
• γ: 100.425 ± 0.004°
• Cell volume: 682.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes