Information card for entry 7113712

Structure parameters

• Formula: C34 H22 N2 O8 Zn2
• Calculated formula: C34 H22 N2 O11.22 Zn2
• Title of publication: A new 6^5^.8 topology and a distorted 6^5^.8 CdSO~4~ topology: two new supramolecular isomers of [M~2~(bdc)~2~(L)~2~]~n~ coordination polymers
• Authors of publication: Moulton, Brian; Abourahma, Heba; Bradner, Michael W.; Lu, Jianjiang; McManus, Gregory J.; Zaworotko, Michael J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1342 - 1343
• a: 30.2394 ± 0.0011 Å
• b: 30.2394 ± 0.0011 Å
• c: 18.2791 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14475.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103692
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No