Information card for entry 7026213

Structure parameters

• Formula: C18 H43 Na6 O36.5 Pd3
• Calculated formula: C18 H42 Na6 O36.5 Pd3
• SMILES: C12(C(=O)O[Pd]34[O]2[Pd]2(OC(=O)C1)OC(=O)C1(CC([O-])=O)CC(=O)O[Pd]5(OC(=O)C(CC(=O)[O-])(CC(=O)O3)[O]45)[O]21)CC(=O)[O-].[Na+].O.O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O
• Title of publication: Crystallographic identification of an unusual homoleptic palladium citrate [Na(OH2)6]·{[Na3(OH2)8]3[NaPd3(C6H4O7)3]2}·(H2O) stabilised by intermetallic aggregation with sodium and heavy hydration
• Authors of publication: Gunari, Parag; s/o Krishnasamy, Suresh; Bai, Shi-Qiang; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9462
• a: 15.8632 ± 0.0006 Å
• b: 15.8632 ± 0.0006 Å
• c: 28.772 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6270.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No