Information card for entry 7104646

Structure parameters

• Formula: C60 H104 Cd5 Cl6 N32 O14
• Calculated formula: C30 H30 Cd5 Cl6 N22 O4
• 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: 29.728 ± 0.005 Å
• b: 12.53 ± 0.002 Å
• c: 20.92 ± 0.004 Å
• α: 90°
• β: 114.847 ± 0.004°
• γ: 90°
• Cell volume: 7071 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No