Information card for entry 2202630

Structure parameters

• Chemical name: Diaquabis(4,5-diazafluoren-9-one-κ^2^N,N')zinc(II) dinitrate
• Formula: C22 H16 N6 O10 Zn
• Calculated formula: C22 H16 N6 O10 Zn
• SMILES: c1ccc2c3c4c(C2=O)ccc[n]4[Zn]2([n]13)([OH2])([n]1cccc3c1c1c(C3=O)ccc[n]21)[OH2].O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Diaquabis(4,5-diazafluoren-9-one-κ^2^<i>N,N</i>')zinc(II) dinitrate
• Authors of publication: Zhang, Rong Lan; Zhao, Jian She; Shi, Qi Zhen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m476 - m477
• a: 6.989 ± 0.002 Å
• b: 8.283 ± 0.003 Å
• c: 10.222 ± 0.003 Å
• α: 94.909 ± 0.004°
• β: 91.394 ± 0.004°
• γ: 99.86 ± 0.004°
• Cell volume: 580.4 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes