Information card for entry 7236006

Structure parameters

• Formula: C56 H91 N13 Ni2 O17
• Calculated formula: C53 H68 N12 Ni2 O8
• Title of publication: Toward a robust porous coordination polymer: the inhibition of mutual movement between interpenetrating sub-networks by introduction of multiple C‒H⋯π interactions
• Authors of publication: Jiang, Xiang; Kou, Hui-Zhong
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 108
• Pages of publication: 89052
• a: 16.7806 ± 0.0006 Å
• b: 16.7806 ± 0.0006 Å
• c: 12.2501 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 117
• Hermann-Mauguin space group symbol: P -4 b 2
• Hall space group symbol: P -4 -2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No