Information card for entry 4104671

Structure parameters

• Formula: C16 H23 B10 Cl Pd Se2
• Calculated formula: C16 H23 B10 Cl Pd Se2
• SMILES: [Pd]12([Se](C[C]3456[B]7892[C]2%10%11(C[Se]1c1ccccc1)[BH]168[BH]685[BH]5%124[BH]437[BH]392[BH]254[BH]46%12[BH]%1018[BH]%11324)c1ccccc1)Cl
• Title of publication: Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes
• Authors of publication: Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9482 - 9483
• a: 12.4086 ± 0.0003 Å
• b: 11.5587 ± 0.0002 Å
• c: 16.2997 ± 0.0003 Å
• α: 90°
• β: 109.173 ± 0.001°
• γ: 90°
• Cell volume: 2208.15 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No