Information card for entry 2204938

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^N,N')(3-oxidonaphthalene-2-carboxylato- κ^2^O:O')palladium(II) hemihydrate
• Formula: C21 H15 N2 O3.5 Pd
• Calculated formula: C21 H15 N2 O3.5 Pd
• SMILES: [Pd]12([n]3c(c4[n]2cccc4)cccc3)Oc2cc3ccccc3cc2C(=O)O1.O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N,N</i>')(3-oxidonaphthalene-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')palladium(II) hemihydrate
• Authors of publication: Yue Wang; Nobuo Okabe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m3 - m5
• a: 21.399 ± 0.008 Å
• b: 7.504 ± 0.005 Å
• c: 24.891 ± 0.016 Å
• α: 90°
• β: 120.15 ± 0.04°
• γ: 90°
• Cell volume: 3456 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes