Information card for entry 2212378

Structure parameters

• Chemical name: catena-Poly[[diaquadinitratozinc(II)]bis(μ-1,4-di-3-pyridyl-2,3-diaza-1,3- butadiene)]
• Formula: C24 H24 N10 O8 Zn
• Calculated formula: C24 H24 N10 O8 Zn
• SMILES: c1c(C=NN=Cc2cnccc2)ccc[n]1[Zn](ON(=O)=O)([n]1cc(ccc1)C=NN=Cc1cnccc1)(ON(=O)=O)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquadinitratozinc(II)]bis(μ-1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene)]
• Authors of publication: Paulin, Shakoya; Kelly, Pierre; Williams, Kenneth B.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m420 - m422
• a: 7.8267 ± 0.0011 Å
• b: 8.532 ± 0.0011 Å
• c: 11.7409 ± 0.0016 Å
• α: 81.113 ± 0.002°
• β: 73.696 ± 0.002°
• γ: 66.468 ± 0.002°
• Cell volume: 689.12 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes