Information card for entry 7217227

Structure parameters

• Common name: ZnCaBTB
• Chemical name: ZnCaBTB
• Formula: C69.25 H65.28 Ca O19.14 Zn2
• Calculated formula: C69.258 H65.316 Ca O19.136 Zn2
• Title of publication: Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains
• Authors of publication: Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8664
• a: 16.55 ± 0.002 Å
• b: 16.55 ± 0.002 Å
• c: 14.748 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3498.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No