Information card for entry 7036769

Structure parameters

• Formula: C49.5 H51 O37 Zn6
• Calculated formula: C49.5 H28 O36.98 Zn6
• Title of publication: Coordination polymers of Zn(II) and 5-methoxy isophthalate.
• Authors of publication: McCormick, Laura J.; Morris, Samuel A.; Teat, Simon J.; McPherson, Matthew J.; Slawin, Alexandra M. Z.; Morris, Russell E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17686 - 17695
• a: 10.7402 ± 0.0015 Å
• b: 28.559 ± 0.004 Å
• c: 42.642 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13080 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No