Information card for entry 7062905

Structure parameters

• Formula: C42 H38 Cu2 Mo8 N18 O45
• Calculated formula: C42 H38 Cu2 Mo8 N18 O45
• Title of publication: Two new 6-nitrobenzimidazole ligand-modified polymolybdate-based metal–organic complexes with excellent capacitive and electrocatalytic performances
• Authors of publication: Liang, Ju-Ju; Zhang, Yu-Chen; Chang, Zhi-Han; Chen, Yong-Zhen; Chen, Ke-Ke; Lu, Jun-Jun; Wang, Xiu-Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 1248 - 1253
• a: 9.392 ± 0.0006 Å
• b: 13.5995 ± 0.0009 Å
• c: 13.6869 ± 0.0009 Å
• α: 82.766 ± 0.001°
• β: 83.523 ± 0.001°
• γ: 89.465 ± 0.001°
• Cell volume: 1723.17 ± 0.19 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No