Information card for entry 4336970

Structure parameters

• Formula: C15 H42 Mo6 N6 O35 Se
• Calculated formula: C15 H24 Mo6 N6 O35 Se
• SMILES: [Mo]123(O[Mo]4([O]2[Se]2=[O]5[Mo]6(O4)([O]=C(C)O[Mo]5(O6)(=O)(=O)O[Mo]45(=O)([O]=C(C)O[Mo](O3)([O]24)(O5)(=O)=O)=O)(=O)=O)(=O)([O]=C(C)O1)=O)(=O)=O.c1c[nH]c[nH+]1.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.O.O.O.O.O.O.O.O
• Title of publication: Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion
• Authors of publication: Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14034 - 14039
• a: 10.6278 ± 0.0006 Å
• b: 10.6429 ± 0.0006 Å
• c: 19.9819 ± 0.0012 Å
• α: 76.261 ± 0.001°
• β: 82.228 ± 0.001°
• γ: 87.064 ± 0.001°
• Cell volume: 2174.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No