Information card for entry 7221903

Structure parameters

• Formula: C42 H60 Mo12 N12 O42
• Calculated formula: C42 H52 Mo12 N12 O42
• Title of publication: Four hybrid compounds based on new type of molybdates and a flexible tripodal ligand: synthesis, structures, photochemical and electrochemical properties
• Authors of publication: Du, Hai-Juan; Wang, Chao-Hai; Li, Yao; Niu, Yunyin; Hou, Hongwei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 18.9997 ± 0.0003 Å
• b: 14.97489 ± 0.00018 Å
• c: 25.4844 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7250.8 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No