Information card for entry 7013422

Structure parameters

• Common name: Complex 2 (Pd(LH)Br2)Br
• Chemical name: Complex 2 [Pd(LH)Br2]Br
• Formula: C12 H36 Br8 N6 O2 Pd3
• Calculated formula: C12 H36 Br8 N6 O2 Pd3
• SMILES: [C@@H]12C[C@H](CC(C2)[NH3+])[NH2][Pd]([NH2]1)(Br)Br.O.Br[Pd](Br)([Br-])[Br-].[C@@H]12C[C@@H](CC(C1)[NH3+])[NH2][Pd]([NH2]2)(Br)Br.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: 8.8314 ± 0.0004 Å
• b: 8.8782 ± 0.0003 Å
• c: 11.5103 ± 0.0006 Å
• α: 69.095 ± 0.002°
• β: 76.249 ± 0.002°
• γ: 60.895 ± 0.002°
• Cell volume: 734.35 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No