Information card for entry 7223437

Structure parameters

• Formula: C45 H54.75 O33.5 Zn6
• Calculated formula: C45 H30 O33.433 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: 20.775 ± 0.003 Å
• b: 27.566 ± 0.003 Å
• c: 10.846 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6211.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No