Information card for entry 4348854

Structure parameters

• Formula: C47 H86 Cl6 F12 N12 P2 W2
• Calculated formula: C47 H86 Cl6 F12 N12 P2 W2
• Title of publication: Exploring the Intricacies of Weak Interactions in Metal-Metal Bonds Using an Unsymmetrical Carbonyl Precursor and a Triple-Bonded W2(6+) Paddlewheel.
• Authors of publication: Chiarella, Gina M.; Feng, Chao; Murillo, Carlos A.; Zhao, Qinliang
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 18
• Pages of publication: 9471 - 9481
• a: 20.097 ± 0.003 Å
• b: 19.113 ± 0.003 Å
• c: 34.639 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13305 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No