Information card for entry 7038300

Structure parameters

• Formula: C38 H44 Fe2 N2 S2
• Calculated formula: C38 H44 Fe2 N2 S2
• Title of publication: C2-Symmetric ferrocenyl bisthiazoles: synthesis, photophysical, electrochemical and DFT studies.
• Authors of publication: Maragani, Ramesh; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4802 - 4809
• a: 7.4356 ± 0.0006 Å
• b: 9.4508 ± 0.001 Å
• c: 13.6586 ± 0.001 Å
• α: 104.175 ± 0.008°
• β: 103.557 ± 0.007°
• γ: 100.421 ± 0.008°
• Cell volume: 875.28 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No