Information card for entry 3000297

Structure parameters

• Formula: C36 H39 Cu6 N30 O46 P W12
• Calculated formula: C36 H30 Cu6 N30 O46 P W12
• Title of publication: Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers
• Authors of publication: Shenzhen Chang
• Journal of publication: To be published in ACS Applied Materials & Interfaces
• Year of publication: 2021
• Journal volume: 13
• Pages of publication: XXXX
• a: 12.0101 ± 0.0011 Å
• b: 12.3947 ± 0.0012 Å
• c: 13.9307 ± 0.0013 Å
• α: 99.945 ± 0.003°
• β: 98.598 ± 0.003°
• γ: 113.109 ± 0.003°
• Cell volume: 1823.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No