Information card for entry 7030462

Structure parameters

• Formula: C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2
• Calculated formula: C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2
• Title of publication: New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.
• Authors of publication: Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9497 - 9507
• a: 11.0168 ± 0.0003 Å
• b: 20.5385 ± 0.0006 Å
• c: 27.5647 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6237 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No