Information card for entry 7111429

Structure parameters

• Formula: C22.55 H28.82 Fe N10.27 S2
• Calculated formula: C22.5487 H28.8244 Fe N10.274 S2
• Title of publication: Nanoporosity of an interpenetrated NbO-type molecular framework studied by single crystal X-ray diffraction
• Authors of publication: Ganesan, Prasad V.; Kepert, Cameron J.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2168 - 2169
• a: 25.3021 ± 0.0014 Å
• b: 25.3021 ± 0.0014 Å
• c: 10.9672 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6080.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No