Information card for entry 7018536

Structure parameters

• Formula: C23 H14 N Ni0.38 O4 Zn0.62
• Calculated formula: C23 H14 N Ni0.38 O4 Zn0.62
• Title of publication: A series of isostructural mesoporous metal-organic frameworks obtained by ion-exchange induced single-crystal to single-crystal transformation.
• Authors of publication: Yao, Qingxia; Sun, Junliang; Li, Kuo; Su, Jie; Peskov, Maxim V.; Zou, Xiaodong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 3953 - 3955
• a: 27.6821 ± 0.001 Å
• b: 27.6821 ± 0.001 Å
• c: 27.6821 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21212.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2725
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No