Information card for entry 4334475

Structure parameters

• Formula: C77 H91 Cl9 Mo N9
• Calculated formula: C77 H91 Cl9 Mo N9
• Title of publication: Soluble Molybdenum(V) Imido Phthalocyanines and Pyrazinoporphyrazines: Crystal Structure, UV-vis and Electron Paramagnetic Resonance Spectroscopic Studies
• Authors of publication: Elisabeth Seikel; Benjamin Oelkers; Olaf Burghaus; Jörg Sundermeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4451 - 4457
• a: 29.5 ± 0.004 Å
• b: 29.5 ± 0.004 Å
• c: 29.5 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25672 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.667
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No