Information card for entry 7706978

Structure parameters

• Formula: C9 H26 B9 N3 Pd
• Calculated formula: C9 H26 B9 N3 Pd
• SMILES: [Pd]123456[CH]789[CH]%10%111[BH]1%129[BH]9%138[BH]827[B]274([BH]43%10[BH]3%11%12[BH]%101%13[BH]982[BH]743%10)NC(=[N]5CC[N]6(C)C)CC
• Title of publication: Synthesis and crystal structures of nickel(ii) and palladium(ii) complexes with o-carboranyl amidine ligands.
• Authors of publication: Stogniy, Marina Yu; Erokhina, Svetlana A.; Suponitsky, Kirill Yu; Markov, Vitaliy Yu; Sivaev, Igor B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4967 - 4975
• a: 10.1055 ± 0.0002 Å
• b: 9.5283 ± 0.0002 Å
• c: 17.8737 ± 0.0004 Å
• α: 90°
• β: 90.4805 ± 0.0008°
• γ: 90°
• Cell volume: 1720.97 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No