Information card for entry 7215188

Structure parameters

• Formula: H62 Na2 O72 Sr4 W12
• Calculated formula: Na2 O72 Sr4 W12
• SMILES: O1[W]234([O]5[W]67(O[W]89%10([O]%11[W]5(=O)(O[W]1%11(=O)(=O)O[W]15([O]8[W]8(O[W]%11%12(O[W]%13%14(=O)([O]8[W](O[W]8([O]2[W](O8)(O%11)(O7)(O3)=O)(=O)(O4)[O]%12%14)(=O)(O%13)(O1)=O)=O)(=O)=O)(=O)(O5)O%10)(O9)=O)(O6)=O)=O)(=O)=O)=O.[Sr+2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Sr+2].O.O.O.[Sr+2].O.[Na+].O.O.O.O.O.[Sr+2].O.O.O.O.O
• Title of publication: A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties
• Authors of publication: Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 4721
• a: 11.4169 ± 0.0012 Å
• b: 23.762 ± 0.003 Å
• c: 12.4588 ± 0.0014 Å
• α: 90°
• β: 110.587 ± 0.001°
• γ: 90°
• Cell volume: 3164.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No