Information card for entry 2211430

Structure parameters

• Chemical name: Tetraaqua(diisonicotinamide)cobalt(II) terephthalate dihydrate
• Formula: C20 H28 Co N4 O12
• Calculated formula: C20 H28 Co N4 O12
• SMILES: c1cc(cc[n]1[Co]([OH2])([OH2])([n]1ccc(C(=O)N)cc1)([OH2])[OH2])C(=O)N.C(=O)(c1ccc(C(=O)[O-])cc1)[O-].O.O
• Title of publication: Tetraaquabis(isonicotinamide-κ<i>N</i>)cobalt(II) terephthalate dihydrate
• Authors of publication: Guang-Gang Gao; Bo Liu; Chuan-Bi Li; Guang-Bo Che
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3357 - m3358
• a: 6.4962 ± 0.0008 Å
• b: 9.7585 ± 0.0012 Å
• c: 11.0145 ± 0.0014 Å
• α: 105.27 ± 0.002°
• β: 103.908 ± 0.002°
• γ: 106.532 ± 0.002°
• Cell volume: 607.06 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes