Information card for entry 7006679

Structure parameters

• Formula: C48 H54 Cd3 N4 O16
• Calculated formula: C48 H46 Cd3 N4 O16
• Title of publication: 1, 2-, 1, 3- and 1, 4-Cyclohexanedicarboxylates of Cd and Mn with chain and layered structures.
• Authors of publication: Thirumurugan, A.; Avinash, M. B.; Rao, C. N. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 221 - 228
• a: 8.9419 ± 0.0002 Å
• b: 11.9987 ± 0.0003 Å
• c: 12.4863 ± 0.0002 Å
• α: 102.465 ± 0.001°
• β: 91.758 ± 0.001°
• γ: 111.771 ± 0.001°
• Cell volume: 1205.7 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No