Information card for entry 7105037

Structure parameters

• Formula: C84 H96.5 Cl6.5 Fe2 N12
• Calculated formula: C84.141 H96.282 Cl6.282 Fe2 N12
• Title of publication: A triple-stranded helicate and mesocate from the same metal and ligand.
• Authors of publication: Zhang, Zhan; Dolphin, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 45
• Pages of publication: 6931 - 6933
• a: 13.3137 ± 0.001 Å
• b: 17.3134 ± 0.0014 Å
• c: 18.8476 ± 0.0015 Å
• α: 88.243 ± 0.004°
• β: 72.59 ± 0.004°
• γ: 80.864 ± 0.004°
• Cell volume: 4092.2 ± 0.6 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0853
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No