Information card for entry 7103150

Structure parameters

• Formula: C18.5 H17.5 Cl1.5 Fe N5 O
• Calculated formula: C18.5 H17.5 Cl1.5 Fe N5 O
• Title of publication: Directing spatial disposition of ferrocene around homoadenine tetrads.
• Authors of publication: Kumar, Jitendra; Purohit, Chandra Shekhar; Verma, Sandeep
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2526 - 2528
• a: 18.066 ± 0.0017 Å
• b: 18.2911 ± 0.0017 Å
• c: 13.064 ± 0.0013 Å
• α: 90°
• β: 122.807 ± 0.002°
• γ: 90°
• Cell volume: 3628.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No