Information card for entry 7047512

Structure parameters

• Formula: C96 H132 Fe2 N4 O6
• Calculated formula: C96 H132 Fe2 N4 O6
• Title of publication: Observation of current rectification by the new bimetallic iron(iii) hydrophobe [Fe(L^N4O6)] on Au|LB-molecule|Au devices.
• Authors of publication: Weeraratne, A. D. K. Isuri; Baydoun, Habib; Shakya, Rajendra; Niklas, Jens; Xie, Lingxiao; Mao, Guangzhao; Stoian, Sebastian A.; Poluektov, Oleg G.; Verani, Cláudio N
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14352 - 14361
• a: 14.8138 ± 0.0007 Å
• b: 16.1445 ± 0.0008 Å
• c: 23.8662 ± 0.0011 Å
• α: 98.27 ± 0.003°
• β: 92.777 ± 0.002°
• γ: 97.551 ± 0.003°
• Cell volume: 5586.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No