Information card for entry 7207456

Structure parameters

• Formula: C54 H40 N12 Ni2 O13
• Calculated formula: C54 H40 N12 Ni2 O13
• Title of publication: One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate
• Authors of publication: Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2080
• a: 7.8961 ± 0.0016 Å
• b: 18.24 ± 0.004 Å
• c: 17.618 ± 0.003 Å
• α: 90°
• β: 96.23 ± 0.03°
• γ: 90°
• Cell volume: 2522.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No