Information card for entry 2207702

Structure parameters

• Chemical name: Di-μ-pyridine-2,5-dicarboxylato-1κ^2^N,O^2^:2κO^5^;1κO^5^:2κ^2^N,O^2^- bis[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)] dihydrate
• Formula: C34 H30 Cd2 N6 O12
• Calculated formula: C34 H30 Cd2 N6 O12
• SMILES: c12c3cccc[n]3[Cd]34([n]1cccc2)([n]1c(C(=O)O3)ccc(c1)C(=O)O[Cd]12([n]3ccccc3c3cccc[n]13)([n]1c(C(=O)O2)ccc(c1)C(=O)O4)[OH2])[OH2].O.O
• Title of publication: Di-μ-pyridine-2,5-dicarboxylato-1κ^2^<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^5^;1κ<i>O</i>^5^:2κ^2^<i>N</i>,<i>O</i>^2^-bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)] dihydrate
• Authors of publication: Shu-Min Zhao; Tian-Xing Wu; Qing-Sen Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2505 - m2506
• a: 7.4046 ± 0.0009 Å
• b: 9.6272 ± 0.0011 Å
• c: 12.5769 ± 0.0017 Å
• α: 81.988 ± 0.005°
• β: 74.517 ± 0.004°
• γ: 89.581 ± 0.007°
• Cell volume: 855.16 ± 0.18 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.047
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No