Information card for entry 2211220

Structure parameters

• Chemical name: (Benzene-1,2-diolato-κ^2^N,N')(di-2-pyridylamine-κ^2^N,N')palladium(II) hemihydrate
• Formula: C16 H14 N3 O2.5 Pd
• Calculated formula: C16 H14 N3 O2.5 Pd
• SMILES: [Pd]12([n]3c(Nc4[n]2cccc4)cccc3)Oc2ccccc2O1.O
• Title of publication: (Benzene-1,2-diolato-κ^2^<i>O</i>,<i>O</i>')(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) hemihydrate
• Authors of publication: Nobuo, Okabe; Yu, Mizubayashi; Mamiko, Odoko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2778 - m2780
• a: 9.08 ± 0.01 Å
• b: 12.7 ± 0.01 Å
• c: 13.22 ± 0.01 Å
• α: 82.34 ± 0.03°
• β: 77.43 ± 0.04°
• γ: 81.19 ± 0.04°
• Cell volume: 1462 ± 2 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No