Information card for entry 7228751

Structure parameters

• Formula: C36 H30 Cr Cu5 Mo6 N28 O31
• Calculated formula: C36 H30 Cr Cu5 Mo6 N28 O31
• Title of publication: Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities
• Authors of publication: Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 59
• Pages of publication: 36860
• a: 12.8771 ± 0.0006 Å
• b: 13.4775 ± 0.0006 Å
• c: 13.5993 ± 0.0005 Å
• α: 107.916 ± 0.004°
• β: 103.921 ± 0.003°
• γ: 112.783 ± 0.004°
• Cell volume: 1888.45 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No