Information card for entry 4504615

Structure parameters

• Formula: C4 H9 Ni0.5 O4
• Calculated formula: C4 H9 Ni0.5 O4
• Title of publication: Polynuclear Core-Based Nickel 1,4-Cyclohexanedicarboxylate Coordination Polymers as Temperature-Dependent Hydrothermal Reaction Products
• Authors of publication: Chen, Jinxi; Ohba, Masaaki; Zhao, Dongyuan; Kaneko, Wakako; Kitagawa, Susumu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 664
• a: 4.9139 ± 0.0011 Å
• b: 6.2914 ± 0.0015 Å
• c: 9.589 ± 0.002 Å
• α: 79.652 ± 0.009°
• β: 78.857 ± 0.011°
• γ: 77.044 ± 0.009°
• Cell volume: 280.56 ± 0.11 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No