Information card for entry 2234486

Structure parameters

• Chemical name: Poly[[diaquabis[μ~4~-5-nitroisophthalato- κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^]bis[μ~3~-pyridine-4- carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]tricobalt(II)] tetrahydrate]
• Formula: C28 H26 Co3 N4 O22
• Calculated formula: C28 H26 Co3 N4 O22
• Title of publication: Poly[[diaquabis[μ~4~-5-nitroisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^]bis[μ~3~-pyridine-4-carboxylato-κ^3^<i>O</i>:<i>O</i>':<i>N</i>]tricobalt(II)] tetrahydrate]
• Authors of publication: Yin, Xia; Fan, Jun; Xin, Jingling; Zheng, Shengrun; Zhang, Weiguang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m451 - m452
• a: 9.189 ± 0.0018 Å
• b: 9.3548 ± 0.0019 Å
• c: 10.39 ± 0.002 Å
• α: 78.74 ± 0.03°
• β: 88.64 ± 0.03°
• γ: 73.68 ± 0.03°
• Cell volume: 840.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes