Information card for entry 7104745

Structure parameters

• Formula: C56 H78 Ba2 Cl6 Fe N14 O10 S6
• Calculated formula: C56 H78 Ba2 Cl6 Fe N14 O10 S6
• 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: 30.6672 ± 0.0013 Å
• b: 14.4533 ± 0.0005 Å
• c: 17.3796 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7703.4 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No