Information card for entry 4325811

Structure parameters

• Formula: C16 H56 Fe2 N4 Si8
• Calculated formula: C16 H56 Fe2 N4 Si8
• SMILES: C[SiH](C)N([Fe]12[N]([Fe]2(N([SiH](C)C)[SiH](C)C)[N]1([SiH](C)C)[SiH](C)C)([SiH](C)C)[SiH](C)C)[SiH](C)C
• Title of publication: Iron Silylamide-Grafted Periodic Mesoporous Silica
• Authors of publication: Thomas Deschner; Karl Wilhelm Törnroos; Reiner Anwander
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7217 - 7228
• a: 8.7407 ± 0.001 Å
• b: 9.6694 ± 0.0011 Å
• c: 11.8888 ± 0.0014 Å
• α: 92.662 ± 0.002°
• β: 104.056 ± 0.002°
• γ: 110.779 ± 0.002°
• Cell volume: 901.53 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No