Information card for entry 7013425

Structure parameters

• Common name: Complex 6 (Pd(L)Br)6Br6
• Chemical name: Complex 6 [Pd(L)Br]6Br6
• Formula: C36 H130 Br12 N18 O20 Pd6
• Calculated formula: C36 H130 Br12 N18 O20 Pd6
• SMILES: [C@H]12C[C@@H]3CC(C1)[NH2][Pd]1([NH2][C@H]4C[C@@H]([NH2]1)CC([NH2][Pd]1([NH2][C@@H]5C[C@H]([NH2]1)CC([NH2][Pd]1([NH2][C@@H]6C[C@@H](CC(C6)[NH2][Pd]6([NH2][C@@H]7C[C@H]([NH2]6)CC([NH2][Pd]6([NH2][C@H]8C[C@H](CC([NH2][Pd]([NH2]2)([NH2]3)Br)C8)[NH2]6)Br)C7)Br)[NH2]1)Br)C5)Br)C4)Br.O.O.O.O.O.O.O.O.O.[Br-].[Br-].[Br-].O.O.O.O.O.O.O.O.O.O.[Br-].[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: 12.4054 ± 0.0002 Å
• b: 26.6675 ± 0.0005 Å
• c: 12.8312 ± 0.0002 Å
• α: 90°
• β: 90.701 ± 0.001°
• γ: 90°
• Cell volume: 4244.51 ± 0.12 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: 0.0647
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No