Information card for entry 7048252

Structure parameters

• Formula: C56 H52 Cl4 Fe N10 O22.5
• Calculated formula: C56 H49.5 Cl4 Fe N10 O22.5
• Title of publication: A benzimidazolyl terpyridine-Fe²⁺ system and its recognition driven molecular model of a traffic light.
• Authors of publication: Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 158 - 167
• a: 10.8611 ± 0.0005 Å
• b: 17.4221 ± 0.0008 Å
• c: 18.0546 ± 0.0008 Å
• α: 62.612 ± 0.001°
• β: 81.047 ± 0.001°
• γ: 85.646 ± 0.001°
• Cell volume: 2996.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No