Information card for entry 7006255

Structure parameters

• Formula: C82 H170 Cd6 Cl8 N16 O63
• Calculated formula: C82 H170 Cd6 Cl8 N16 O63
• Title of publication: Fixation of atmospheric carbon dioxide by a cadmium(ii) macrocyclic complex
• Authors of publication: Janzen, Daron E.; Botros, Maikel E.; VanDerveer, Donald G.; Grant, Gregory J.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5316
• a: 12.627 ± 0.003 Å
• b: 13.415 ± 0.003 Å
• c: 21.981 ± 0.004 Å
• α: 92.93 ± 0.03°
• β: 96.77 ± 0.03°
• γ: 117.74 ± 0.03°
• Cell volume: 3248.6 ± 1.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No