Information card for entry 2219857

Structure parameters

• Chemical name: Triaqua(<i>N</i>^2^,<i>N</i>^4^-di-2-pyridylpyrimidine-2,4-diamine)cobalt(II) fumarate
• Formula: C18 H20 Co N6 O7
• Calculated formula: C18 H20 Co N6 O7
• SMILES: c12Nc3[n](cccc3)[Co]3([n]4ccccc4Nc([n]13)ncc2)([OH2])([OH2])[OH2].[O-]C(=O)/C=C/C(=O)[O-]
• Title of publication: Triaqua(<i>N</i>^2^,<i>N</i>^4^-di-2-pyridylpyrimidine-2,4-diamine)cobalt(II) fumarate
• Authors of publication: Yang, Ming-hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1406
• a: 9.3239 ± 0.0003 Å
• b: 17.1115 ± 0.0006 Å
• c: 13.1395 ± 0.0005 Å
• α: 90°
• β: 96.224 ± 0.001°
• γ: 90°
• Cell volume: 2084 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes