Information card for entry 2014443

Structure parameters

• Chemical name: Bis(tetra-n-butylammonium) (μ-N,N'-diselenium dinitride)bis[tribromopalladate(II)]
• Formula: C32 H72 Br6 N4 Pd2 Se2
• Calculated formula: C32 H72 Br6 N4 Pd2 Se2
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.N1([Pd](Br)(Br)Br)[Se]N([Pd](Br)(Br)Br)[Se]1.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) (μ-<i>N</i>,<i>N</i>'-diselenium dinitride)bis[tribromopalladate(II)]
• Authors of publication: Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; James, Sarah L. M.; Kelly, Paul F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m643 - m644
• a: 9.081 ± 0.002 Å
• b: 10.671 ± 0.003 Å
• c: 12.415 ± 0.003 Å
• α: 95.131 ± 0.004°
• β: 98.598 ± 0.004°
• γ: 98.689 ± 0.004°
• Cell volume: 1168.1 ± 0.5 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: 0.074
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No