Information card for entry 7007160

Structure parameters

• Common name: tetra(benzene-1-carboxylate-3,5-carboxylic acid)bis(1,10- phenanthroline) dicopper(ii)benzene-1,3,5-carboxylic acid
• Chemical name: tetra(benzene-1-carboxylate-3,5-carboxylic acid)bis(1,10-phenanthroline) dicopper(II)benzene-1,3,5-carboxylic acid
• Formula: C39 H24 Cu N2 O18
• Calculated formula: C39 H24 Cu N2 O18
• 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: 11.814 ± 0.002 Å
• b: 13.632 ± 0.003 Å
• c: 15.322 ± 0.003 Å
• α: 68.78 ± 0.03°
• β: 79.24 ± 0.03°
• γ: 76.93 ± 0.03°
• Cell volume: 2225.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No