Information card for entry 4074466

Structure parameters

• Formula: C29 H31 B Cl2 F4 Mo2 S3
• Calculated formula: C29 H31 B Cl2 F4 Mo2 S3
• SMILES: [Mo]12345678([S]([Mo]9%10%11%12([S]1C)([S]2C)(C3=[C]4=C(c1ccccc1)c1ccccc1)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)C)[cH]1[cH]5[cH]6[cH]7[cH]81.[B](F)(F)(F)[F-].ClCCl
• Title of publication: A Bridging Side-on Allenylidene Dimolybdenum Complex without Carbonyl Stabilization
• Authors of publication: Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5503
• a: 10.487 ± 0.0007 Å
• b: 17.028 ± 0.0012 Å
• c: 19.06 ± 0.0016 Å
• α: 90°
• β: 105.853 ± 0.008°
• γ: 90°
• Cell volume: 3274.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1318
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No