Information card for entry 7223438

Structure parameters

• Formula: C45 H44 O28 Zn6
• Calculated formula: C45 H32 O28 Zn6
• Title of publication: Coordination polymers of 5-substituted isophthalic acid.
• Authors of publication: McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.
• Journal of publication: CrystEngComm / RSC
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1123 - 1132
• a: 17.382 ± 0.004 Å
• b: 10.4516 ± 0.0015 Å
• c: 15.97 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2901.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No