Information card for entry 7013817

Structure parameters

• Formula: C10 H14 Co N4 O12
• Calculated formula: C10 H14 Co N4 O12
• SMILES: c12cc([nH][n]2[Co]2(OC1=O)([OH2])([n]1c(cc(C(=O)O)[nH]1)C(=O)O2)[OH2])C(=O)O.O.O
• 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: 9.9994 ± 0.0007 Å
• b: 12.4504 ± 0.001 Å
• c: 6.8223 ± 0.0009 Å
• α: 90°
• β: 108.486 ± 0.004°
• γ: 90°
• Cell volume: 805.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No