Information card for entry 7012935

Structure parameters

• Common name: [Cu(Cl)2(4,7-phen)2]
• Chemical name: Dibromo-bis(4,7-phenanthroline)copper(II)
• Formula: C24 H16 Br2 Cu N4
• Calculated formula: C24 H16 Br2 Cu N4
• SMILES: c1cc[n]([Cu](Br)([n]2cccc3c4cccnc4ccc23)Br)c2ccc3ncccc3c12
• 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: 5.4065 ± 0.0006 Å
• b: 18.709 ± 0.002 Å
• c: 10.7551 ± 0.0012 Å
• α: 90°
• β: 103.348 ± 0.002°
• γ: 90°
• Cell volume: 1058.5 ± 0.2 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: 0.0395
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No