Information card for entry 4304342

Structure parameters

• Chemical name: Mo(NAr)2(PMe3)2BH4
• Formula: C30 H56 B Mo N2 P2
• Calculated formula: C30 H56 B Mo N2 P2
• SMILES: [Mo]1(=Nc2c(cccc2C(C)C)C(C)C)(=Nc2c(cccc2C(C)C)C(C)C)([P](C)(C)C)([P](C)(C)C)[H][BH2][H]1
• Title of publication: Synthesis and Molecular and Electronic Structure of an Unusual Paramagnetic Borohydride Complex Mo(NAr)2(PMe3)2(η2-BH4)
• Authors of publication: Andrey Y. Khalimon; Jason P. Holland; Radoslaw M. Kowalczyk; Eric J. L. McInnes; Jennifer C. Green; Philip Mountford; Georgii I. Nikonov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 999 - 1006
• a: 11.2581 ± 0.0003 Å
• b: 12.8096 ± 0.0004 Å
• c: 13.0998 ± 0.0004 Å
• α: 102.802 ± 0.0014°
• β: 93.319 ± 0.0014°
• γ: 107.799 ± 0.0011°
• Cell volume: 1737.88 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No