Information card for entry 7013423

Structure parameters

• Common name: Complex 3 (Pd(LH)2)(NO3)4
• Chemical name: Complex 3 [Pd(LH)2](NO3)4
• Formula: C12 H32 N10 O12 Pd
• Calculated formula: C12 H32 N10 O12 Pd
• SMILES: [C@H]12C[C@H](CC(C1)[NH3+])[NH2][Pd]1([NH2]2)[NH2][C@@H]2C[C@@H](CC(C2)[NH3+])[NH2]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=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: 8.3934 ± 0.0011 Å
• b: 16.649 ± 0.002 Å
• c: 8.6914 ± 0.0011 Å
• α: 90°
• β: 109.419 ± 0.004°
• γ: 90°
• Cell volume: 1145.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No