Information card for entry 4348853

Structure parameters

• Formula: C46 H80 N12 O2 W2
• Calculated formula: C46 H80 N12 O2 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: 9.773 ± 0.004 Å
• b: 18.025 ± 0.008 Å
• c: 14.571 ± 0.006 Å
• α: 90°
• β: 98.688 ± 0.006°
• γ: 90°
• Cell volume: 2537.4 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No