Information card for entry 2230535

Structure parameters

• Chemical name: Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine- κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II)
• Formula: C4 H12 N4 O7 Zn
• Calculated formula: C4 H12 N4 O7 Zn
• SMILES: C1C[O]2CC[NH2][Zn]2([NH2]1)(ON(=O)=O)ON(=O)=O
• Title of publication: Bis(nitrato-κ<i>O</i>)(3-oxapentane-1,5-diamine-κ^3^<i>N</i>,<i>O</i>,<i>N</i>')zinc(II)
• Authors of publication: Jia, Fei; Kou, Fan; Liu, Bin; Jia, Bei-Bei; Wu, Hui-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m764
• a: 8.031 ± 0.019 Å
• b: 8.034 ± 0.019 Å
• c: 9.55 ± 0.02 Å
• α: 103.97 ± 0.02°
• β: 101.9 ± 0.02°
• γ: 115.879 ± 0.018°
• Cell volume: 503 ± 2 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: 0.0306
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes