Information card for entry 7018905

Structure parameters

• Formula: H4 K4 Mo5 O23 Se2
• Calculated formula: H4 K4 Mo5 O23 Se2
• SMILES: [O]1=[Se]2[O]3[Mo]45(O[Mo]63(=O)([O]3[Mo]7([O]2[Mo]2([O]=[Se]3[O]5[Mo]1(O4)(O2)(=O)=O)(O7)(=O)=O)(O6)(=O)=O)=O)(=O)=O.[K+].[K+].[K+].[K+].O.O
• Title of publication: Syntheses, crystal structures and SHG properties of a series of polar alkali-metal molybdenum(vi) selenites based on strandberg-type [Mo(5)O(15)(SeO(3))(2)](4-) polyanion.
• Authors of publication: Kong, Fang; Hu, Chun-Li; Xu, Xiang; Zhou, Tian-Hua; Mao, Jiang-Gao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5687 - 5695
• a: 19.221 ± 0.009 Å
• b: 10.078 ± 0.004 Å
• c: 11.832 ± 0.006 Å
• α: 90°
• β: 106.593 ± 0.006°
• γ: 90°
• Cell volume: 2196.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No