Information card for entry 4349241

Structure parameters

• Formula: C91 H158 Co12 Mo12 N21 O132 P23
• Calculated formula: C91 H101 Co12 Mo12 N21 O132 P23
• Title of publication: An Unprecedented M-O Cluster Constructed from Nanosized {[C₅NH₅]₉[H₃₁Mo^V₁₂O₂₄Co^II₁₂(PO₄)₂₃(H₂O)₄]}^2- Anions Exhibiting Interesting Nonlinear-Optical Properties.
• Authors of publication: Dong, Yayu; Hu, Gonghao; Miao, Hao; He, Xingxiang; Fang, Min; Xu, Yan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11621 - 11625
• a: 37.916 ± 0.013 Å
• b: 21.039 ± 0.007 Å
• c: 28.447 ± 0.01 Å
• α: 90°
• β: 113.692 ± 0.004°
• γ: 90°
• Cell volume: 20780 ± 12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No