Information card for entry 2201486

Structure parameters

• Chemical name: trans-Dibromobis(1,3,5-triaza-7-phosphaadamantane)palladium(II)
• Formula: C12 H24 Br2 N6 P2 Pd
• Calculated formula: C12 H24 Br2 N6 P2 Pd
• SMILES: C1N2CN3CN(C[P]1([Pd]([P]14CN5CN(C4)CN(C1)C5)(Br)Br)C3)C2
• Title of publication: <i>trans</i>-Dibromobis(1,3,5-triaza-7-phosphaadamantane-κ<i>P</i>)palladium(II)
• Authors of publication: Meij, Anna M. M.; Stefanus Otto; Andreas Roodt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m644 - m646
• a: 7.276 ± 0.002 Å
• b: 11.808 ± 0.002 Å
• c: 10.317 ± 0.002 Å
• α: 90°
• β: 94.99 ± 0.03°
• γ: 90°
• Cell volume: 883 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No