Information card for entry 4339538

Structure parameters

• Formula: C56 H44 Mo2 N14 O
• Calculated formula: C56 H44 Mo2 N14 O
• SMILES: [Mo]123(O[Mo]456([n]7ccccc7N=[N]5c5ccccc5)[n]5ccccc5N=[N]6c5ccccc5N4c4ccccc4)([n]4ccccc4N=[N]1c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1N2c1ccccc1
• Title of publication: Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.
• Authors of publication: Sanyal, Anasuya; Chatterjee, Sudipta; Castiñeiras, Alfonso; Sarkar, Biprajit; Singh, Priti; Fiedler, Jan; Zális, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8584 - 8593
• a: 12.887 ± 0.014 Å
• b: 13.048 ± 0.014 Å
• c: 30.18 ± 0.03 Å
• α: 90°
• β: 93.941 ± 0.019°
• γ: 90°
• Cell volume: 5063 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1546
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No