Information card for entry 7012934

Structure parameters

• Common name: [Cu(Cl)2(4,7-phen)2]
• Chemical name: Dichloro-bis(4,7-phenanthroline)copper(II)
• Formula: C24 H16 Cl2 Cu N4
• Calculated formula: C24 H16 Cl2 Cu N4
• SMILES: c1cc[n](c2c1c1cccnc1cc2)[Cu]([n]1cccc2c3cccnc3ccc12)(Cl)Cl
• Title of publication: The r�le of 4,7-phenanthroline in coordination polymer construction
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2387
• a: 5.149 ± 0.0015 Å
• b: 18.613 ± 0.006 Å
• c: 10.889 ± 0.003 Å
• α: 90°
• β: 103.242 ± 0.005°
• γ: 90°
• Cell volume: 1015.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No