Information card for entry 7103694

Structure parameters

• Formula: C17 H11 Co N O6.48
• Calculated formula: C17 H11 Co N O6.49
• 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: 30.3087 ± 0.0015 Å
• b: 30.3087 ± 0.0015 Å
• c: 18.3364 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14587.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No