Information card for entry 7210720

Structure parameters

• Common name: Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates
• Formula: C16 H40 N4 Ni2 O20
• Calculated formula: C16 H40 N4 Ni2 O20
• Title of publication: Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers
• Authors of publication: Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 7999
• a: 9.726 ± 0.004 Å
• b: 17.322 ± 0.005 Å
• c: 8.608 ± 0.003 Å
• α: 90°
• β: 105.16 ± 0.04°
• γ: 90°
• Cell volume: 1399.8 ± 0.9 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No