Information card for entry 7035955

Structure parameters

• Formula: C39 H48 Fe2 N10 O18.75
• Calculated formula: C39 H46 Fe2 N10 O18.75
• Title of publication: A family of Fe(3+) based double-stranded helicates showing a magnetocaloric effect, and Rhodamine B dye and DNA binding activities.
• Authors of publication: Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15531 - 15543
• a: 12.1418 ± 0.0013 Å
• b: 12.4085 ± 0.0013 Å
• c: 15.839 ± 0.0018 Å
• α: 74.689 ± 0.004°
• β: 89.892 ± 0.004°
• γ: 85.089 ± 0.004°
• Cell volume: 2292.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.072
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No