Information card for entry 4338200

Structure parameters

• Formula: C36 H49 Fe K N7 O
• Calculated formula: C36 H49 Fe K N7 O
• Title of publication: Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.
• Authors of publication: Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4450 - 4458
• a: 8.9533 ± 0.0004 Å
• b: 16.5012 ± 0.0008 Å
• c: 23.485 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3469.7 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No