Information card for entry 4310718

Structure parameters

• Formula: C12 Mo4 N12 Na8 Se4
• Calculated formula: C12 Mo4 N12 Na8 Se4
• SMILES: C(#N)[Mo]12(C#N)(C#N)[Se]3[Mo]4(C#N)(C#N)(C#N)[Se]5[Mo](C#N)(C#N)(C#N)([Se]14)[Se]2[Mo]35(C#N)(C#N)C#N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters
• Authors of publication: Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1902 - 1911
• a: 15.362 ± 0.002 Å
• b: 15.362 ± 0.002 Å
• c: 11.055 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.9 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No