Information card for entry 7111428

Structure parameters

• Formula: C22 H28 Fe N10 S2
• Calculated formula: C22 H28 Fe N10 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: 25.2831 ± 0.0014 Å
• b: 25.2831 ± 0.0014 Å
• c: 10.9463 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6059.8 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No