Information card for entry 7030463

Structure parameters

• Formula: C35 H28 Cu Fe I N P
• Calculated formula: C35 H28 Cu Fe I N P
• 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: 10.1206 ± 0.0004 Å
• b: 12.6511 ± 0.0006 Å
• c: 13.6628 ± 0.0007 Å
• α: 104.106 ± 0.004°
• β: 106.75 ± 0.004°
• γ: 107.782 ± 0.004°
• Cell volume: 1485.78 ± 0.15 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.0579
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No