Information card for entry 2219600

Structure parameters

• Chemical name: (Nitrato-κO)oxido(tetraphenylporphyrinato-κ^4^N)molybdenum(V) benzene solvate
• Formula: C50 H34 Mo N5 O4
• Calculated formula: C50 H34 Mo N5 O4
• Title of publication: (Nitrato-κ<i>O</i>)oxido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)molybdenum(V) benzene solvate
• Authors of publication: Carter, Shawn M.; Xu, Nan; Khan, Masood A.; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1337
• a: 8.6846 ± 0.0014 Å
• b: 11.2895 ± 0.0018 Å
• c: 11.718 ± 0.0018 Å
• α: 61.617 ± 0.005°
• β: 79.283 ± 0.006°
• γ: 76.354 ± 0.006°
• Cell volume: 978.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes