Information card for entry 7020007

Structure parameters

• Formula: C9 H15 N3 O6 Pd
• Calculated formula: C9 H15 N3 O6 Pd
• SMILES: [Pd]12([NH2]CC[NH2]1)[n]1cccc(C(=O)[O-])c1C(=O)O2.O.O
• Title of publication: Two new palladium(ii) complexes: synthesis, characterization and their interaction with HeLa cells.
• Authors of publication: Gao, Enjun; Lin, Lin; Liu, Lei; Zhu, Mingchang; Wang, Bo; Gao, Xianan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11187 - 11194
• a: 7.2309 ± 0.0005 Å
• b: 12.1884 ± 0.0009 Å
• c: 14.6252 ± 0.0011 Å
• α: 103.874 ± 0.001°
• β: 94.038 ± 0.001°
• γ: 93.776 ± 0.001°
• Cell volume: 1243.69 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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 all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No