Information card for entry 2227934

Structure parameters

• Chemical name: Bis(3-methylphenolato-κ<i>O</i>)(nitrosyl-κ<i>N</i>)[tris(3,5- dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydridoborato]molybdenum(II)
• Formula: C29 H36 B Mo N7 O3
• Calculated formula: C29 H36 B Mo N7 O3
• SMILES: [BH]12n3[n]([Mo]([n]4n1c(cc4C)C)([n]1n2c(cc1C)C)(Oc1cccc(c1)C)(Oc1cccc(c1)C)N=O)c(cc3C)C
• Title of publication: Bis(3-methylphenolato-κ<i>O</i>)(nitrosyl-κ<i>N</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydridoborato]molybdenum(II)
• Authors of publication: Nitek, Wojciech; Romańczyk, Piotr P.; Lubera, Tomasz; Włodarczyk, Andrzej J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1239 - m1240
• a: 8.041 ± 0.005 Å
• b: 13.562 ± 0.005 Å
• c: 14.591 ± 0.005 Å
• α: 86.103 ± 0.005°
• β: 83.533 ± 0.005°
• γ: 74.597 ± 0.005°
• Cell volume: 1523.1 ± 1.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes