Information card for entry 4504833

Structure parameters

• Formula: C30.5 H28 Cl Fe N S4
• Calculated formula: C30.5 H28 Cl Fe N S4
• Title of publication: Conducting metallopolymers based on azaferrocene.
• Authors of publication: Byrne, Paul D.; Müller, Peter; Swager, Timothy M.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2006
• Journal volume: 22
• Journal issue: 25
• Pages of publication: 10596 - 10604
• a: 18.0259 ± 0.0017 Å
• b: 14.9021 ± 0.0013 Å
• c: 10.5521 ± 0.0008 Å
• α: 90°
• β: 97.917 ± 0.003°
• γ: 90°
• Cell volume: 2807.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No