Information card for entry 7201923

Structure parameters

• Formula: C72 H80 Cd3 Fe4 I6 N24
• Calculated formula: C72 H80 Cd3 Fe4 I6 N24
• Title of publication: Stereoselective association of ferrocene-contained molecular clips in coordination polymers
• Authors of publication: He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 759
• a: 12.914 ± 0.003 Å
• b: 12.914 ± 0.003 Å
• c: 29.512 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4922 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No