Information card for entry 4338320

Structure parameters

• Formula: C42 H68 Al B Fe2 N6
• Calculated formula: C42 H68 Al B Fe2 N6
• Title of publication: Aluminum-Stabilized Low-Spin Iron(II) Hydrido Complexes of 1,4,7-Trimethyl-1,4,7-triazacyclononane.
• Authors of publication: Oishi, Masataka; Endo, Togo; Oshima, Masato; Suzuki, Hiroharu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5100 - 5108
• a: 16.0332 ± 0.0008 Å
• b: 15.8365 ± 0.0008 Å
• c: 17.3741 ± 0.0009 Å
• α: 90°
• β: 100.921 ± 0.0016°
• γ: 90°
• Cell volume: 4331.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No