Information card for entry 1100168

Structure parameters

• Formula: C14 H12 Br2 N8 O4 Pd
• Calculated formula: C14 H12 Br2 N8 O4 Pd
• SMILES: [Pd](Br)(Br)([n]1ccnc2N(C)C(=O)NC(=O)c12)[n]1ccnc2N(C)C(=O)NC(=O)c12
• Authors of publication: Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros
• Journal of publication: Polyhedron
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 483 - 488
• a: 6.5185 ± 0.0009 Å
• b: 7.5119 ± 0.0011 Å
• c: 10.7736 ± 0.0009 Å
• α: 94.351 ± 0.01°
• β: 106.036 ± 0.008°
• γ: 109.334 ± 0.014°
• Cell volume: 470.21 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No