Information card for entry 2207010

Structure parameters

• Formula: C24 H20 N2 O5 Pd
• Calculated formula: C24 H20 N2 O5 Pd
• SMILES: [Pd]12([n]3c(c4[n]2c2c(cc4)cccc2)ccc2ccccc32)OC(=O)C2(C(=O)O1)CCC2.O
• Title of publication: (1,1-Cyclobutanedicarboxylato-κ^2^<i>O</i>,<i>O</i>')(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')palladium(II) monohydrate
• Authors of publication: Okabe, Nobuo; Muranishi, Yasunori; Odoko, Mamiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2060 - m2062
• a: 10.363 ± 0.002 Å
• b: 10.438 ± 0.002 Å
• c: 11.45 ± 0.002 Å
• α: 64.66 ± 0.01°
• β: 80.87 ± 0.02°
• γ: 69.07 ± 0.01°
• Cell volume: 1045.5 ± 0.4 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: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No