Information card for entry 7013825

Structure parameters

• Formula: C10 H6 Cu2 N4 Na2 O10
• Calculated formula: C10 H6 Cu2 N4 Na2 O10
• SMILES: C1(=O)c2cc3C(=O)O[Cu]45[n]3n2[Cu]2(O1)[n]1c(cc(C(=O)O5)n41)C(=O)O2.O.[Na+].O.[Na+]
• 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: 3.5938 ± 0.0014 Å
• b: 9.659 ± 0.004 Å
• c: 10.934 ± 0.004 Å
• α: 111.01 ± 0.03°
• β: 93.3 ± 0.03°
• γ: 95.59 ± 0.03°
• Cell volume: 350.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No