Information card for entry 7007157

Structure parameters

• Common name: bromobis(1,10-phenanthroline-5,6-dione)copper(ii) bromide ethanol clathrate
• Chemical name: bromobis(1,10-phenanthroline-5,6-dione)copper(II) bromide ethanol clathrate
• Formula: C26 H20 Br2 Cu N4 O6
• Calculated formula: C26 H20 Br2 Cu N4 O6
• Title of publication: Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.
• Authors of publication: Stephenson, Maria D.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 3407 - 3417
• a: 14.4198 ± 0.0004 Å
• b: 12.2319 ± 0.0003 Å
• c: 14.9169 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.07 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No