Information card for entry 8102761

Structure parameters

• Formula: C68 H80 N8 Ni4 O34
• Calculated formula: C68 H67 N8 Ni4 O34
• Title of publication: Crystal structure of aquabis(m4-benzene-1,3,5-tricarboxylato-k4O1:O2:O3:O5)-[m2-N,N'-bis(3-pyridylmethylammonium)butane-k2N:N']dinickel(II) tetrahydrate, Ni2(H2O)(C9H3O6)2(C16H24N4) · 4H2O
• Authors of publication: Li-Jing Fan; Ying-Ying Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 486
• a: 10.4874 ± 0.0004 Å
• b: 15.9036 ± 0.0005 Å
• c: 26.136 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4359.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No