Information card for entry 7232431

Structure parameters

• Formula: C52 H28 Br16 N4 O9 V
• Calculated formula: C52 H28 Br16 N4 O9 V
• Title of publication: Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media
• Authors of publication: Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1757
• a: 20.733 ± 0.009 Å
• b: 26.304 ± 0.012 Å
• c: 28.112 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15331 ± 12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.2234
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.3034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No