Information card for entry 7008195

Structure parameters

• Formula: C16 H16 Co N10 O12
• Calculated formula: C16 H16 Co N10 O12
• SMILES: c1c(c[nH][n]1[Co](ON(=O)=O)([n]1cc(c[nH]1)c1cc[nH+]cc1)(ON(=O)=O)(ON(=O)=O)ON(=O)=O)c1cc[nH+]cc1
• Title of publication: New cobalt(II) and zinc(II) coordination frameworks incorporating a pyridyl-pyrazole ditopic ligand.
• Authors of publication: Mulyana, Yanyan; Kepert, Cameron J.; Lindoy, Leonard F.; Parkin, Andrew; Turner, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1598 - 1601
• a: 13.0784 ± 0.0012 Å
• b: 11.1055 ± 0.0009 Å
• c: 15.9865 ± 0.0013 Å
• α: 90°
• β: 108.225 ± 0.004°
• γ: 90°
• Cell volume: 2205.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No