Information card for entry 7201603

Structure parameters

• Common name: 6
• Formula: C72 H74 Cu N8 O42 Yb2
• Calculated formula: C72 H74 Cu N8 O42 Yb2
• SMILES: c12cc(cc3[n]1[Yb]1456([n]7c3cc(cc7C(=O)O5)C(=O)OC)([n]3c(c5[n]4c(cc(c5)C(=O)OC)C(=O)O6)cc(cc3C(=[O]1)O[Cu](OC1=[O][Yb]34567([n]8c(cc(cc8c8cc(cc([n]38)C(=O)O5)C(=O)OC)C(=O)OC)C(=O)O6)[n]3c(cc(cc3c3[n]4c1cc(c3)C(=O)OC)C(=O)OC)C(=O)O7)([OH2])([OH2])([OH]C)[OH]C)C(=O)OC)OC2=O)C(=O)OC.CO.CO.CO.CO.CO.CO
• Title of publication: Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals
• Authors of publication: Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 68
• a: 10.4424 ± 0.0006 Å
• b: 12.9331 ± 0.0007 Å
• c: 15.4313 ± 0.0009 Å
• α: 79.426 ± 0.001°
• β: 87.329 ± 0.002°
• γ: 74.204 ± 0.001°
• Cell volume: 1971.27 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No