Information card for entry 7114110

Structure parameters

• Formula: C38 H74 Mg2 N4 Na2
• Calculated formula: C38 H74 Mg2 N4 Na2
• Title of publication: Hydride encapsulation in s-block metal inverse crown chemistry
• Authors of publication: Gallagher, Daniel J.; Henderson, Kenneth W.; Kennedy, Alan R.; O’Hara, Charles T.; Mulvey, Robert E.; Rowlings, René B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 376
• a: 9.9353 ± 0.0004 Å
• b: 12.148 ± 0.0005 Å
• c: 17.3141 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.71 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No