Information card for entry 7111495

Structure parameters

• Common name: (5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(ii)
• Chemical name: (5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato) (bispiperidine)molybdenum(II)
• Formula: C61 H58 Mo N6
• Calculated formula: C61 H57 Mo N6
• Title of publication: The synthesis of isostructural Mo2+ porphyrin and N-confused porphyrin complexes
• Authors of publication: Harvey, John D.; Shaw, Janet L.; Herrick, Richard S.; Ziegler, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 37
• Pages of publication: 4663 - 4665
• a: 9.8887 ± 0.0018 Å
• b: 11.63 ± 0.002 Å
• c: 11.91 ± 0.002 Å
• α: 112.359 ± 0.003°
• β: 94.035 ± 0.003°
• γ: 103.615 ± 0.003°
• Cell volume: 1211.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No