Information card for entry 8102494

Structure parameters

• Formula: C17 H26.7 N6 Ni O8.35
• Calculated formula: C17 H26.7 N6 Ni O8.35
• Title of publication: Crystal structure of 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-tris(imidazole)nickel(II) — water (1:3.35), Ni(C8H8O5)(C3H4N2)3.·.3.35H2O
• Authors of publication: Yan-Jun Wang; Yun-Yun Wang; Jie Feng; Qiu-Yue Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 549
• a: 8.2606 ± 0.0001 Å
• b: 12.5544 ± 0.0002 Å
• c: 12.6572 ± 0.0002 Å
• α: 109.355 ± 0.001°
• β: 104.554 ± 0.001°
• γ: 95.828 ± 0.001°
• Cell volume: 1173.9 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No