Information card for entry 2014651

Structure parameters

• Chemical name: (Di-2-pyridylamine-κ^2^N,N')(naphthalene-2,3-diolato-κ^2^O,O')palladium(II) monohydrate
• Formula: C20 H17 N3 O3 Pd
• Calculated formula: C20 H17 N3 O3 Pd
• SMILES: [Pd]12([n]3c(Nc4[n]2cccc4)cccc3)Oc2cc3ccccc3cc2O1.O
• Title of publication: (Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(naphthalene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')palladium(II) monohydrate and (di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II)
• Authors of publication: Yue Wang; Yu Mizubayashi; Mamiko Odoko; Nobuo Okabe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m67 - m70
• a: 9.202 ± 0.009 Å
• b: 17.136 ± 0.016 Å
• c: 11.087 ± 0.009 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 1747 ± 3 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No