Information card for entry 4086438

Structure parameters

• Formula: C46.5 H48 N7 Na O3.5 W
• Calculated formula: C46.5 H48 N7 Na O3.5 W
• SMILES: [n]1(ccccc1)[Na]([n]1ccccc1)[n]1ccccc1.[O]#C[W]1(C#[O])(C#[O])([n]2ccccc2)[N](=C2C=CC=CC=C2N1C(C)C)c1ccccc1.O(C)C(C)(C)C.c1ccccn1
• Title of publication: Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes
• Authors of publication: Lichtenberg, Crispin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 894
• a: 44.458 ± 0.002 Å
• b: 76.228 ± 0.004 Å
• c: 10.6621 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36133 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No