Information card for entry 4507630

Structure parameters

• Formula: C48 H46 N12 O14 Zn2
• Calculated formula: C48 H38 N12 O14 Zn2
• Title of publication: Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand
• Authors of publication: He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1649
• a: 9.6478 ± 0.001 Å
• b: 12.1746 ± 0.0013 Å
• c: 12.1908 ± 0.0013 Å
• α: 110.261 ± 0.001°
• β: 99.484 ± 0.001°
• γ: 103.182 ± 0.001°
• Cell volume: 1260.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No