Information card for entry 2019242

Structure parameters

• Common name: 4-Iodoanilinium pentamolybdate
• Chemical name: Poly[bis(4-iodoanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]
• Formula: C12 H14 I2 Mo5 N2 O16
• Calculated formula: C12 H14 I2 Mo5 N2 O16
• Title of publication: Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization
• Authors of publication: Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1367 - 1372
• a: 32.284 ± 0.002 Å
• b: 5.6274 ± 0.0003 Å
• c: 14.3066 ± 0.0008 Å
• α: 90°
• β: 104.329 ± 0.005°
• γ: 90°
• Cell volume: 2518.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0503
• Goodness-of-fit parameter for all reflections: 1.32
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.78992 Å
• Diffraction radiation type: CoKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No