Information card for entry 7013823

Structure parameters

• Formula: C10 H12 N4 Ni2 O12
• Calculated formula: C10 H12 N4 Ni2 O12
• 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: 6.8212 ± 0.0007 Å
• b: 7.3875 ± 0.0008 Å
• c: 8.5066 ± 0.0009 Å
• α: 105.248 ± 0.002°
• β: 90.594 ± 0.002°
• γ: 111.65 ± 0.002°
• Cell volume: 381.63 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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 all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No