Information card for entry 4116705

Structure parameters

• Chemical name: (Me5CpMo)2Cl2(B2H6)
• Formula: C20 H35.19 B1.73 Cl2.27 Mo2
• Calculated formula: C20 H35.16 B1.72 Cl2.28 Mo2
• Title of publication: Synthesis of Novel Molybdaboranes from (η5-C5R5)MoCln Precursors (R = H, Me; n= 1, 2, 4)
• Authors of publication: Simon Aldridge; Maoyu Shang; Thomas P. Fehlner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 2586 - 2598
• a: 8.1278 ± 0.0007 Å
• b: 29.447 ± 0.006 Å
• c: 10.601 ± 0.004 Å
• α: 90°
• β: 108.61 ± 0.03°
• γ: 90°
• Cell volume: 2404.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.1466
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No