Information card for entry 1551699

Structure parameters

• Formula: C12 H16 Cl2 Co N2 O8 Pd
• Calculated formula: C12 H16 Cl2 Co N2 O8 Pd
• SMILES: [Pd](Cl)([n]1ccc(cc1)C(=O)O[Co]([OH2])([OH2])(OC(=O)c1cc[n]([Pd](Cl)(Cl)[n]2ccc(cc2)C(=O)[O-])cc1)([OH2])[OH2])(Cl)[n]1ccc(cc1)C(=O)O[Co]([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystal Structure of Pd(II)-Co(II) Coordination Polymer with Isonicotinic Acid
• Authors of publication: MIYAZAKI, Yuhei; KATAOKA, Yusuke; KAWAMOTO, Tatsuya; MORI, Wasuke
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2012
• Journal volume: 28
• Pages of publication: 19
• a: 5.58 ± 0.004 Å
• b: 6.709 ± 0.004 Å
• c: 12.846 ± 0.004 Å
• α: 71.52 ± 0.05°
• β: 79.41 ± 0.07°
• γ: 83.4 ± 0.08°
• Cell volume: 447.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No