Information card for entry 7036398

Structure parameters

• Formula: C48 H60 Mo8 N14 Ni2 O35
• Calculated formula: C48 H54 Mo8 N14 Ni2 O35
• Title of publication: Three novel polyoxoanion-supported compounds: confinement of polyoxoanions in Ni-containing rigid concave surfaces with enhanced NLO properties.
• Authors of publication: Dong, Yayu; Xu, Xiao; Zhou, Guangpeng; Miao, Hao; Hu, GongHao; Xu, Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18347 - 18353
• a: 10.787 ± 0.008 Å
• b: 12.279 ± 0.009 Å
• c: 15.855 ± 0.011 Å
• α: 91.471 ± 0.009°
• β: 104.183 ± 0.009°
• γ: 110.064 ± 0.008°
• Cell volume: 1899 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No