Information card for entry 7111521

Structure parameters

• Formula: C36 H62.63 Cd15 N72 O22.32 S4
• Calculated formula: C36 H70.632 Cd15 N72 O22.316 S4
• Title of publication: Reversible shrinkage and expansion of a blue photofluorescent cadmium coordination polymer and in situ tetrazole ligand synthesis
• Authors of publication: Deng, Hong; Qiu, Yong-Cai; Li, Ying-Hua; Liu, Zhi-Hui; Zeng, Rong-Hua; Zeller, Matthias; Batten, Stuart R.
• Journal of publication: Chemical Communications
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2239 - 2241
• a: 21.4035 ± 0.0001 Å
• b: 21.4035 ± 0.0001 Å
• c: 21.4035 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9805.15 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0142
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No