Information card for entry 2203430

Structure parameters

• Common name: Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate
• Chemical name: Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate
• Formula: C24 H17 Cl2 Cu N4 O4.5
• Calculated formula: C24 H17 Cl2 Cu N4 O4.5
• SMILES: [Cu]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Chlorobis(1,10-phenanthroline)copper(II) perchlorate hemihydrate
• Authors of publication: Wei, Yibin; Yang, Pin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m429 - m431
• a: 17.081 ± 0.003 Å
• b: 11.298 ± 0.002 Å
• c: 24.554 ± 0.004 Å
• α: 90°
• β: 108.625 ± 0.002°
• γ: 90°
• Cell volume: 4490.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No