Information card for entry 7013826

Structure parameters

• Formula: C10 H18 N4 Ni3 O16
• Calculated formula: C10 H10 N4 Ni3 O16
• Title of publication: The building block approach to extended solids: 3,5-pyrazoledicarboxylate coordination compounds of increasing dimensionality.
• Authors of publication: King, Philippa; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 852 - 861
• a: 7.0477 ± 0.0009 Å
• b: 12.5228 ± 0.0014 Å
• c: 21.422 ± 0.003 Å
• α: 90°
• β: 94.699 ± 0.014°
• γ: 90°
• Cell volume: 1884.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No