Information card for entry 7038046

Structure parameters

• Formula: C50 H84 Mo6 N4 O18
• Calculated formula: C50 H84 Mo6 N4 O18
• Title of publication: Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.
• Authors of publication: Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2818 - 2822
• a: 17.559 ± 0.0011 Å
• b: 17.7832 ± 0.0013 Å
• c: 19.6079 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6122.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No