Information card for entry 7014794

Structure parameters

• Formula: C36 H39 Cl Mo N9 O7
• Calculated formula: C36 H25 Cl Mo N9 O7
• Title of publication: Synthetic, spectroscopic, and structural studies on organoimido molybdenum, tungsten, and rhenium phthalocyanines.
• Authors of publication: Darwish, Wael; Seikel, Elisabeth; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1183 - 1188
• a: 13.8148 ± 0.0012 Å
• b: 13.8148 ± 0.0012 Å
• c: 10.0926 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No