Information card for entry 2203676

Structure parameters

• Chemical name: Chlorobis(1,10-phenanthroline)copper(II) chloride methanol 4.5-hydrate
• Formula: C25 H29 Cl2 Cu N4 O5.5
• Calculated formula: C25 H29 Cl2 Cu N4 O5.5
• SMILES: [Cu]12([n]3cccc4c3c3[n]1cccc3cc4)([n]1cccc3c1c1[n]2cccc1cc3)Cl.CO.[Cl-].O.O.O.O.O
• Title of publication: Chlorobis(1,10-phenanthroline)copper(II) chloride methanol solvate 4.5-hydrate
• Authors of publication: Lu, Liping; Qin, Shidong; Yang, Pin; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m574 - m576
• a: 23.387 ± 0.005 Å
• b: 30.418 ± 0.007 Å
• c: 7.3816 ± 0.0016 Å
• α: 90°
• β: 97.714 ± 0.003°
• γ: 90°
• Cell volume: 5204 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2485
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes