Information card for entry 4335357

Structure parameters

• Formula: C33 H69 N6 O7 P Pd3
• Calculated formula: C33 H69 N6 O7 P Pd3
• SMILES: [Pd]1([N]2([Pd]([N]3([Pd]([N]1(P23=O)C(C)C)([NH2]C1CCCCC1)OC(=O)C)C(C)C)([NH2]C1CCCCC1)OC(=O)C)C(C)C)([NH2]C1CCCCC1)OC(=O)C
• Title of publication: Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents
• Authors of publication: Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7608 - 7614
• a: 11.6709 ± 0.001 Å
• b: 16.7648 ± 0.0014 Å
• c: 21.993 ± 0.002 Å
• α: 90°
• β: 98.245 ± 0.002°
• γ: 90°
• Cell volume: 4258.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No