Information card for entry 8101693

Structure parameters

• Chemical name: chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate
• Formula: C24 H18 Cl2 N4 O5 Zn
• Calculated formula: C24 H18 Cl2 N4 O5 Zn
• SMILES: [Zn]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Crystal structure of chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate, [ZnCl(C~12~H~8~N~2~)~2~]ClO~4~ · H~2~O
• Authors of publication: A. R. Mahjoub; A. Morsali; Z. Talaei; A. Hosseinian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 11.3746 ± 0.0015 Å
• b: 15.383 ± 0.0018 Å
• c: 13.0256 ± 0.0017 Å
• α: 90°
• β: 94.718 ± 0.002°
• γ: 90°
• Cell volume: 2271.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No