Information card for entry 4307660

Structure parameters

• Formula: C18 H50 Mo7 N6 O28
• Calculated formula: C18 H42 Mo7 N6 O28
• Title of publication: Synthesis, Characterization, and Photochromic Properties of Hybrid Organic-Inorganic Materials Based on Molybdate, DABCO, and Piperazine
• Authors of publication: Violaine Coué; Rémi Dessapt; Martine Bujoli-Doeuff; Michel Evain; Stéphane Jobic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2824 - 2835
• a: 17.064 ± 0.004 Å
• b: 15.3018 ± 0.0003 Å
• c: 15.3674 ± 0.0004 Å
• α: 90°
• β: 93.085 ± 0.0011°
• γ: 90°
• Cell volume: 4006.8 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for significantly intense reflections: 2.41
• Goodness-of-fit parameter for all reflections included in the refinement: 2.5
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No