Information card for entry 7104742

Structure parameters

• Formula: C51 H82 Cl2 Fe N10 O19 S2
• Calculated formula: C51 H78 Cl2 Fe N10 O19 S2
• Title of publication: Variable length ligands: a new class of bridging ligands for supramolecular chemistry and crystal engineering.
• Authors of publication: Duriska, Martin B; Neville, Suzanne M; Batten, Stuart R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5579 - 5581
• a: 14.258 ± 0.0006 Å
• b: 16.8765 ± 0.0007 Å
• c: 25.9883 ± 0.0012 Å
• α: 90°
• β: 98.679 ± 0.001°
• γ: 90°
• Cell volume: 6181.8 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No