Information card for entry 4336449

Structure parameters

• Formula: C68.3 H52.6 Br2 Cl0.6 Cu2 Fe4 N4
• Calculated formula: C68.3 H52.6 Br2 Cl0.6 Cu2 Fe4 N4
• Title of publication: New Multi-Ferrocenyl- and Multi-Ferricenyl- Materials via Coordination-Driven Self-Assembly and via Charge-Driven Electro-Crystallization
• Authors of publication: Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Anna L. Sudlow; Paul R. Raithby; Gabriele Kociok-Köhn; Kieran C. Molloy; Frank Marken
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12012 - 12022
• a: 9.8408 ± 0.0002 Å
• b: 13.3736 ± 0.0003 Å
• c: 23.7742 ± 0.0005 Å
• α: 105.158 ± 0.001°
• β: 92.748 ± 0.001°
• γ: 94.484 ± 0.001°
• Cell volume: 3003.14 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2737
• Weighted residual factors for all reflections included in the refinement: 0.2938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No