Information card for entry 7111431

Structure parameters

• Formula: C22.66 H29 Fe N10.33 S2
• Calculated formula: C22.664 H28.996 Fe N10.332 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: 25.501 ± 0.002 Å
• b: 25.501 ± 0.002 Å
• c: 11.0385 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6216.6 ± 1.2 ų
• Cell temperature: 375 ± 2 K
• Ambient diffraction temperature: 375 ± 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: 0.1365
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No