Information card for entry 4318405

Structure parameters

• Formula: C31 H78 Cd3 Cl4 N2 O22
• Calculated formula: C31 H72 Cd3 Cl4 N12 O22
• Title of publication: Cadmium Cyclam Complexes: Interconversion of Cis and Trans Configurations and Fixation of CO2
• Authors of publication: Xiangyang Liang; John A. Parkinson; Simon Parsons; Michael Weishäupl; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4539 - 4547
• a: 23.142 ± 0.002 Å
• b: 23.142 ± 0.002 Å
• c: 17.5 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8117 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No