Information card for entry 2013837

Structure parameters

• Chemical name: (1,1-cyclobutanedicarboxylato-κ^2^O,O') (1,10-phenanthroline-κ^2^N,N')palladium(II) dihydrate
• Formula: C18 H18 N2 O6 Pd
• Calculated formula: C18 H18 N2 O6 Pd
• SMILES: [Pd]12([n]3c4c5[n]2cccc5ccc4ccc3)OC(=O)C2(C(=O)O1)CCC2.O.O
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')palladium(II), (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate and (1,1-cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate
• Authors of publication: Muranishi, Yasunori; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m47 - m50
• a: 11.079 ± 0.002 Å
• b: 11.826 ± 0.003 Å
• c: 13.678 ± 0.004 Å
• α: 85.5 ± 0.02°
• β: 84.55 ± 0.02°
• γ: 85.87 ± 0.02°
• Cell volume: 1774.7 ± 0.8 ų
• Cell temperature: 296.2 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: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No