Information card for entry 2235812

Structure parameters

• Chemical name: Tetrakis(1,10-phenanthroline)- 1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-bis(μ-pyridine-2,6- dicarboxylato)-1:2κ^5^<i>O</i>^2^,<i>O</i>^2'^: <i>O</i>^2^,<i>N</i>,<i>O</i>^6^;2:3κ^5^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^: <i>O</i>^6^,<i>O</i>^6-^-(pyridine-2,6-dicarboxylato)- 2κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^-1,3-dicopper(II)-2-terbium(III) nitrate tetrahydrate
• Formula: C69 H49 Cu2 N12 O19 Tb
• Calculated formula: C69 H49 Cu2 N12 O19 Tb
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Cu]2([n]13)([n]1cccc3c1c1[n]2cccc1cc3)OC1=[O][Tb]23456([n]7c1cccc7C(=O)O2)([n]1c(C(=O)O3)cccc1C(=O)O6)[n]1c(C(=[O]4)O[Cu]23([n]4cccc6c4c4c(cc6)ccc[n]24)[n]2cccc4c2c2[n]3cccc2cc4)cccc1C(=O)O5.N(=O)(=O)[O-].O.O.O.O
• Title of publication: Tetrakis(1,10-phenanthroline)bis(μ-pyridine-2,6-dicarboxylato)(pyridine-2,6-dicarboxylato)dicopper(II)terbium(III) nitrate tetrahydrate
• Authors of publication: Zhang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1084 - m1085
• a: 17.058 ± 0.004 Å
• b: 19.574 ± 0.005 Å
• c: 19.927 ± 0.005 Å
• α: 90°
• β: 97.289 ± 0.004°
• γ: 90°
• Cell volume: 6600 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes