Information card for entry 7202891

Structure parameters

• Formula: C84 H99 N15 Ni3 O27
• Calculated formula: C57.012 H33.012 N6 Ni3 O18
• Title of publication: Design and construction of a microporous metal?organic framework based on the pillared-layer motif
• Authors of publication: Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 545
• a: 16.634 ± 0.002 Å
• b: 16.634 ± 0.002 Å
• c: 11.234 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2691.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No