Information card for entry 1562308

Structure parameters

• Formula: C16 H20 Cu Mo6 N6 O22
• Calculated formula: C16 H20 Cu Mo6 N6 O22
• Title of publication: The structures and properties of the new two-dimensional inorganic‒organic hybrid materials based on the molybdate chains
• Authors of publication: Li, Na; Mu, Bao; Cao, Xinyu; Huang, Rudan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 217
• Pages of publication: 180 - 186
• a: 7.5755 ± 0.0006 Å
• b: 9.9208 ± 0.0008 Å
• c: 10.2918 ± 0.0009 Å
• α: 105.551 ± 0.002°
• β: 92.013 ± 0.001°
• γ: 99.009 ± 0.001°
• Cell volume: 733.55 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0826
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No