Information card for entry 2209853

Structure parameters

• Chemical name: Chlorobis(1,10-phenanthroline-κ^2^N,N')zinc(II) nitrate monohydrate
• Formula: C24 H18 Cl N5 O4 Zn
• Calculated formula: C24 H18 Cl N5 O4 Zn
• SMILES: c1ccc2c3c4c(ccc[n]4[Zn]4([n]13)([n]1cccc3c1c1c(ccc[n]41)cc3)Cl)cc2.N(=O)(=O)[O-].O
• Title of publication: Chlorobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) nitrate monohydrate
• Authors of publication: Chun-Hui Yu; Rong-Chang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1758 - m1759
• a: 9.6613 ± 0.0019 Å
• b: 11.102 ± 0.002 Å
• c: 12 ± 0.002 Å
• α: 67.66 ± 0.03°
• β: 71 ± 0.03°
• γ: 71.65 ± 0.03°
• Cell volume: 1098.5 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes