Information card for entry 1518912

Structure parameters

• Formula: C26 H21 K N4 O16 W3
• Calculated formula: C26 H21 K N4 O16 W3
• SMILES: [W]12345([W]678([W]91([O]26)(O7)(O4)(OC(=O)C(=O)O9)[n]1ccccc1)(O3)(OC(=O)C(=O)O8)[n]1ccccc1)(OC(=O)C(=O)O5)[n]1ccccc1.[K+].[nH+]1ccccc1
• Title of publication: Solid state structures of dinuclear and trinuclear tungsten and molybdenum complexes with single metal-metal bonds
• Authors of publication: Barbara Modec; Peter Bukovec
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 226 - 234
• a: 37.154 ± 0.0004 Å
• b: 10.1654 ± 0.0001 Å
• c: 19.6631 ± 0.0002 Å
• α: 90°
• β: 114.239 ± 0.0005°
• γ: 90°
• Cell volume: 6771.77 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No