Information card for entry 4312022

Structure parameters

• Formula: C36 H30 Mo N8 S2
• Calculated formula: C36 H30 Mo N8 S2
• SMILES: [Mo]1234(N(c5ccccc5SC)c5ccccc5[N]1=Nc1[n]2cccc1)[n]1c(N=[N]3c2c(N4c3c(SC)cccc3)cccc2)cccc1
• Title of publication: Unusual Reduction of Ammonium Heptamolybdate to Novel Molybdenum(IV)-Stabilized Azo Anion Radical Complexes
• Authors of publication: Anasuya Sanyal; Priyabrata Banerjee; Gene-Hsiang Lee; Shie-Ming Peng; Chen-Hsiung Hung; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7456 - 7462
• a: 10.5691 ± 0.0004 Å
• b: 13.9169 ± 0.0006 Å
• c: 14.5209 ± 0.0006 Å
• α: 107.781 ± 0.001°
• β: 105.807 ± 0.001°
• γ: 98.666 ± 0.001°
• Cell volume: 1892.11 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No