Information card for entry 7114909

Structure parameters

• Formula: C66 H112 Mo4 N15 Na O12
• Calculated formula: C67.282 H96.825 Mo4 N15.881 Na O14.061
• Title of publication: Alkali metal-templated assembly of the tetrahedral cyanometallate cages [M⊂Mo4(μ-CN)6(CO)12]5− (M = Li, Na)
• Authors of publication: Contakes, Stephen M.; Rauchfuss, Thomas B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 553
• a: 19.1292 ± 0.0016 Å
• b: 19.3643 ± 0.0016 Å
• c: 24.966 ± 0.002 Å
• α: 90°
• β: 96.764 ± 0.002°
• γ: 90°
• Cell volume: 9183.6 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No