Information card for entry 7132616

Structure parameters

• Formula: C44 H54 B N3 Ni P
• Calculated formula: C44 H53 B N3 Ni P
• SMILES: [NiH]12=C3N(C=CN3c3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nitrous oxide activation by picoline-derived Ni-CNP hydrides.
• Authors of publication: Bermejo, José; Ortega-Lepe, Isabel; Santos, Laura L.; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Suárez, Andrés
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 12
• Pages of publication: 1575 - 1578
• a: 14.5193 ± 0.0004 Å
• b: 29.0183 ± 0.0007 Å
• c: 9.5279 ± 0.0002 Å
• α: 90°
• β: 103.894 ± 0.001°
• γ: 90°
• Cell volume: 3896.89 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No