Information card for entry 7103950

Structure parameters

• Formula: C18 H16 Mo N2 O2 S
• Calculated formula: C18 H16 Mo N2 O2 S
• SMILES: [Mo]123(S)([n]4cccc5ccc6ccc[n]1c6c45)(C#[O])(C#[O])[CH2]=[C]2(C3)C
• Title of publication: A new reactivity pattern of low-valent transition-metal hydroxo complexes: straightforward synthesis of hydrosulfido complexes via reaction with carbon disulfide
• Authors of publication: Gerbino, Darío C.; Hevia, Eva; Morales, Dolores; Clemente, M. Elena Navarro; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 328 - 329
• a: 8.6005 ± 0.001 Å
• b: 15.0923 ± 0.0017 Å
• c: 13.5883 ± 0.0015 Å
• α: 90°
• β: 101.228 ± 0.002°
• γ: 90°
• Cell volume: 1730 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No