Information card for entry 7104644

Structure parameters

• Formula: C84 H138 Cd4 N46 O18
• Calculated formula: C36 H24 Cd4 N30 O6
• Title of publication: Solid state coordination chemistry of microporous metal-organic frameworks of the cadmium(ii)-4-pyridyltetrazolate family: the structural influences of chloride incorporation.
• Authors of publication: Ouellette, Wayne; Zubieta, Jon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 30
• Pages of publication: 4533 - 4535
• a: 41.5947 ± 0.0004 Å
• b: 41.5947 ± 0.0004 Å
• c: 41.5947 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71963.8 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No