Information card for entry 4500555

Structure parameters

• Common name: anderson
• Formula: C24 H20 Cr Mo6 N4 Na O36
• Calculated formula: C24 H20 Cr Mo6 N4 Na O36
• SMILES: C(=O)(c1ccncc1)O[Na]OC(=O)c1ccncc1.C(=O)(c1cc[nH+]cc1)O.O=[Mo]123(O[Mo]45([O]2[Cr]2678[O]9[Mo]%10(=O)(O[Mo]%11([O]6%10)(=O)(=O)O[Mo]([O]12)(=O)(=O)([O]7%11)O3)(=O)O[Mo]9(O4)(=O)(=O)[O]58)(=O)=O)=O.O.O.C(=O)(c1cc[nH+]cc1)O.O.O
• Title of publication: Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers
• Authors of publication: Singh, Monika; Ramanan, Arunachalam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3381
• a: 10.514 ± 0.005 Å
• b: 10.655 ± 0.005 Å
• c: 12.295 ± 0.006 Å
• α: 97.351 ± 0.009°
• β: 112.286 ± 0.008°
• γ: 113.523 ± 0.008°
• Cell volume: 1103.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No