Information card for entry 4307661

Structure parameters

• Formula: C6 H16 Mo3 N2 O11
• Calculated formula: C6 H14 Mo3 N2 O11
• 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: 7.6028 ± 0.0005 Å
• b: 10.3658 ± 0.0009 Å
• c: 17.8759 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408.78 ± 0.18 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for significantly intense reflections: 2.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No