Information card for entry 4348619

Structure parameters

• Formula: C14 H22 B Ir N2
• Calculated formula: C14 H22 B Ir N2
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Ir]15234[H][BH]([n]2c(cccc2)N1C)[H]5
• Title of publication: 2-(Methylamido)pyridine-Borane: A Tripod κ(3)-N,H,H Ligand in Trigonal Bipyramidal Rhodium(I) and Iridium(I) Complexes with an Asymmetric Coordination of Its BH3 Group.
• Authors of publication: Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique; Van der Maelen, Juan F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8905 - 8912
• a: 12.0435 ± 0.0003 Å
• b: 7.333 ± 0.0001 Å
• c: 17.5013 ± 0.0005 Å
• α: 90°
• β: 120.175 ± 0.004°
• γ: 90°
• Cell volume: 1336.19 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No