Information card for entry 7003305

Structure parameters

• Formula: C25 H29 B10 Cl N P Pd S
• Calculated formula: C25 H29 B10 Cl N P Pd S
• SMILES: [Pd]1(Cl)(S[C]2345[C]678([BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]6%102[BH]249[BH]573[BH]8%1262)c2[n]1cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bidentate chelating (pyridine)N-C-C-C-S(H) motif
• Authors of publication: Teixidor, F.; Laromaine, A.; Kivekäs, R.; Sillanpää, R.; Viñas, C.; Vespalec, R.; Horáková, H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 345
• a: 9.3314 ± 0.0004 Å
• b: 11.9503 ± 0.0006 Å
• c: 15.281 ± 0.0004 Å
• α: 104.695 ± 0.002°
• β: 98.904 ± 0.002°
• γ: 111.702 ± 0.002°
• Cell volume: 1471.71 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No