Information card for entry 2008488

Structure parameters

• Formula: C15 H16 N4 O3 Pd
• Calculated formula: C15 H16 N4 O3 Pd
• SMILES: [Pd]123[n]4c(cccc4)C(=O)N1CCCN2C(=O)c1[n]3cccc1.O
• Title of publication: [1,3-Bis(pyridine-2-carboxamido)propane]palladium(II) monohydrate and its nickel(II) analogue
• Authors of publication: Tamura, Masana; Kajikawa, Yuji; Azuma, Nagao; Tani, Hiroyuki; Tajima, Kunihiko; Kanaori, Kenji; Makino, Keisuke; Takayama, Toshio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 719 - 722
• a: 10.762 ± 0.002 Å
• b: 10.96 ± 0.002 Å
• c: 7.16 ± 0.001 Å
• α: 100.76 ± 0.01°
• β: 97.53 ± 0.01°
• γ: 115.33 ± 0.01°
• Cell volume: 728.5 ± 0.2 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No