Information card for entry 7706976

Structure parameters

• Formula: C26 H38 B9 N2 Ni O P
• Calculated formula: C26 H38 B9 N2 Ni O P
• SMILES: [Ni]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)[N](=C(N[B]6785[BH]593[CH]3%101[CH]1%112[BH]2%12%10[BH]%1053[BH]379[BH]52%10[BH]2%11%12[BH]461[BH]8352)CC)CCOC
• 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: 14.4819 ± 0.0005 Å
• b: 11.7216 ± 0.0004 Å
• c: 17.3304 ± 0.0006 Å
• α: 90°
• β: 92.816 ± 0.001°
• γ: 90°
• Cell volume: 2938.3 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No