Information card for entry 4500557

Structure parameters

• Common name: anderson
• Formula: C24 H20 Cr Cu Mo6 N4 O46
• Calculated formula: C24 H20 Cr Cu Mo6 N4 O46
• SMILES: C(=O)(O)c1cc[nH+]cc1.O=[Mo]123([O]4[Cr]5678[O]9[Mo]4(O1)(=O)(=O)O[Mo]19(=O)(=O)O[Mo]4(=O)(=O)(O[Mo]9(=O)(=O)(O[Mo](=O)(=O)(O2)([O]59)[O]37)[O]64)[O]81)=O.[Cu]([OH2])([OH2])(OC(=O)c1ccncc1)(OC(=O)c1ccncc1)([OH2])[OH2].O.O.O.O.O.c1cc(C(=O)O)cc[nH+]1.O.O.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: 10.559 ± 0.004 Å
• b: 11.819 ± 0.004 Å
• c: 13.105 ± 0.005 Å
• α: 102.202 ± 0.006°
• β: 111.925 ± 0.005°
• γ: 107.706 ± 0.006°
• Cell volume: 1344.1 ± 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: 0.1006
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No