Information card for entry 4118752

Structure parameters

• Formula: C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8
• Calculated formula: C176 H164 Cl5 F42 Fe2 N12 P15 Pt4 S8
• Title of publication: One-Pot Synthesis of an Fe(II) Bis-Terpyridine Complex with Allosterically Regulated Electronic Properties
• Authors of publication: Charles W. Machan; Mario Adelhardt; Amy A. Sarjeant; Charlotte L. Stern; Jörg Sutter; Karsten Meyer; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16921 - 16924
• a: 24.3421 ± 0.0005 Å
• b: 16.6719 ± 0.0004 Å
• c: 51.6817 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20973.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1655
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No