Information card for entry 7013424

Structure parameters

• Common name: Complex 4 (Pd(LH)2)(SO4)2
• Chemical name: Complex 4 [Pd(LH)2](SO4)2
• Formula: C12 H44 N6 O14 Pd S2
• Calculated formula: C12 H44 N6 O14 Pd S2
• SMILES: [C@H]12CC([NH3+])C[C@H](C1)[NH2][Pd]1([NH2]2)[NH2][C@H]2C[C@H](CC(C2)[NH3+])[NH2]1.O=S(=O)([O-])[O-].O.O.O.[O-]S(=O)(=O)[O-].O.O.O
• Title of publication: Palladium(ii)-based cis,trans-1,3,5-triaminocyclohexane complexes demonstrating a variety of coordination modes and architecturesElectronic supplementary information (ESI) available: A detailed description of the coordinative flexibility of trans-tach. Fig. S1: Diagram defining interplanar angle ? and torsion angle ?. Table S1: interplanar angles ? and torsion angles ? for complexes 1?7. See http://www.rsc.org/suppdata/dt/b3/b307616d/
• Authors of publication: Seeber, Georg; Long, De-Liang; Kariuki, Benson M.; Cronin, Leroy
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4498
• a: 8.2588 ± 0.0002 Å
• b: 17.3414 ± 0.0004 Å
• c: 9.1518 ± 0.0002 Å
• α: 90°
• β: 99.12 ± 0.001°
• γ: 90°
• Cell volume: 1294.14 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No