Information card for entry 2014652

Structure parameters

• Chemical name: (di-2-pyridylamine-κ^2^N,N')(2-oxidonaphthalene-3-carboxylato- κ^2^O,O')palladium(II)
• Formula: C21 H15 N3 O3 Pd
• Calculated formula: C21 H15 N3 O3 Pd
• SMILES: [Pd]12([n]3c(Nc4[n]2cccc4)cccc3)Oc2cc3ccccc3cc2C(=O)O1
• 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: 12.168 ± 0.009 Å
• b: 11.5 ± 0.01 Å
• c: 13.195 ± 0.008 Å
• α: 90°
• β: 94.94 ± 0.03°
• γ: 90°
• Cell volume: 1840 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No