Information card for entry 4312021

Structure parameters

• Formula: C34 H26 Mo N8
• Calculated formula: C34 H26 Mo N8
• SMILES: [Mo]1234([n]5c(N=[N]3c3c(N1c1ccccc1)cccc3)cccc5)[N](=Nc1[n]2cccc1)c1c(N4c2ccccc2)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: 10.4545 ± 0.0006 Å
• b: 17.1635 ± 0.0009 Å
• c: 16.2844 ± 0.0009 Å
• α: 90°
• β: 104.585 ± 0.001°
• γ: 90°
• Cell volume: 2827.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No