Information card for entry 7013421

Structure parameters

• Common name: Complex 1 (Pd(LH)Cl2)Cl
• Chemical name: Complex 1 [Pd(LH)Cl2]Cl
• Formula: C6 H18 Cl3 N3 O Pd
• Calculated formula: C6 H18 Cl3 N3 O Pd
• SMILES: [C@H]12C[C@H](CC(C1)[NH3+])[NH2][Pd](Cl)(Cl)[NH2]2.[Cl-].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: 12.4445 ± 0.0001 Å
• b: 12.2051 ± 0.0001 Å
• c: 8.3213 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.89 ± 0.02 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No