Information card for entry 2202505

Structure parameters

• Formula: C18 H16 N2 O4 Pd
• Calculated formula: C18 H16 N2 O4 Pd
• SMILES: [Pd]12(Oc3ccccc3O1)[n]1cccc3c1c1[n]2cccc1cc3.O.O
• Title of publication: (1,2-Benzenediolato-κ^2^<i>O,O</i>')(1,10-phenanthroline-κ^2^<i>N,N</i>')palladium(II) dihydrate
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m936 - m938
• a: 9.248 ± 0.002 Å
• b: 16.462 ± 0.002 Å
• c: 10.802 ± 0.001 Å
• α: 90°
• β: 94.7 ± 0.01°
• γ: 90°
• Cell volume: 1639 ± 0.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes