Information card for entry 7114082

Structure parameters

• Formula: C50 H44 Cu F6 N12 O P
• Calculated formula: C50 H44 Cu F6 N12 O P
• Title of publication: Controlling allostery using redox chemistryElectronic supplementary information (ESI) available: Experimental and X-ray structure determination and crystal data for [Cu(1)][PF6]. See http://www.rsc.org/suppdata/cc/b1/b109051h/
• Authors of publication: Al-Sayah, Mohammad H.; Branda, Neil R.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 178
• a: 9.9312 ± 0.0012 Å
• b: 15.733 ± 0.002 Å
• c: 17.743 ± 0.002 Å
• α: 72.366 ± 0.002°
• β: 80.042 ± 0.003°
• γ: 88.735 ± 0.002°
• Cell volume: 2600.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1934
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2995
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No