Information card for entry 7704857

Structure parameters

• Formula: C50 H43 Mo2 N5 O16
• Calculated formula: C50 H32 Mo2 N5 O16
• Title of publication: A stable and highly selective metalloporphyrin based framework for the catalytic oxidation of cyclohexene.
• Authors of publication: Xia, Zhinan; Li, Fengyan; Xu, Lin; Feng, Pingyun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11157 - 11162
• a: 24.2727 ± 0.0009 Å
• b: 35.951 ± 0.0013 Å
• c: 7.6427 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6669.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No