Information card for entry 7013420

Structure parameters

• Chemical name: Complex 7 [Pd{Pd(L)Cl2}Cl2]
• Formula: C12 H30 Cl6 N6 Pd3
• Calculated formula: C12 H30 Cl6 N6 Pd3
• SMILES: [C@@H]12CC(C[C@@H](C1)[NH2][Pd]([NH2]2)(Cl)Cl)[NH2][Pd](Cl)([NH2]C1C[C@H]2C[C@@H](C1)[NH2][Pd]([NH2]2)(Cl)Cl)Cl
• 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: 15.5544 ± 0.0009 Å
• b: 9.6173 ± 0.0005 Å
• c: 17.124 ± 0.0009 Å
• α: 90°
• β: 90 ± 0.004°
• γ: 90°
• Cell volume: 2561.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No