Information card for entry 2005723

Structure parameters

• Chemical name: Aqua(2,6-diacetylpyridinedi(benzoic acid hydrazone)nitratocobalt(II) nitrate
• Formula: C23 H23 Co N7 O9
• Calculated formula: C23 H23 Co N7 O9
• SMILES: [Co]1234([O]=C(N[N]3=C(c3[n]2c(ccc3)C(=[N]4NC(=[O]1)c1ccccc1)C)C)c1ccccc1)([OH2])ON(=O)=O.O=N(=O)[O-]
• Title of publication: Aqua[2,6-diacetylpyridinedi(benzoic acid hydrazone)]nitratocobalt(II) Nitrate at 173K
• Authors of publication: Abboud, K. A.; Palenik, R. C.; Palenik, G. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2994 - 2996
• a: 7.317 ± 0.0001 Å
• b: 17.3766 ± 0.0001 Å
• c: 19.7908 ± 0.0003 Å
• α: 90°
• β: 98.025 ± 0.001°
• γ: 90°
• Cell volume: 2491.65 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.0879
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No