Information card for entry 4075500

Structure parameters

• Common name: Fec-CH2-triazole-CdCl2)n polymer
• Formula: C32 H32 Cd Cl2 Fe2 N12
• Calculated formula: C32 H32 Cd Cl2 Fe2 N12
• Title of publication: Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges
• Authors of publication: Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3364
• a: 7.0577 ± 0.0003 Å
• b: 8.5381 ± 0.0004 Å
• c: 15.1071 ± 0.0006 Å
• α: 98.342 ± 0.001°
• β: 92.997 ± 0.001°
• γ: 112.781 ± 0.001°
• Cell volume: 824.56 ± 0.06 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No