Information card for entry 4512472

Structure parameters

• Formula: C68 H136 Mo12 N7 O50 P Zn4
• Calculated formula: C20 H12.3333 Mo12 N4 O44 P Zn4
• Title of publication: Tuning the Dimensionality of Polyoxometalate-Based Materials by Using a Mixture of Ligands
• Authors of publication: Rousseau, Guillaume; Rodriguez-Albelo, Luisa Marleny; Salomon, William; Mialane, Pierre; Marrot, Jérôme; Doungmene, Floriant; Mbomekallé, Israël-Martyr; de Oliveira, Pedro; Dolbecq, Anne
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 449
• a: 26.48 ± 0.003 Å
• b: 26.845 ± 0.003 Å
• c: 27.075 ± 0.003 Å
• α: 71.282 ± 0.002°
• β: 68.629 ± 0.003°
• γ: 63.698 ± 0.002°
• Cell volume: 15772 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1173
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No