Information card for entry 7046668

Structure parameters

• Formula: C36 H53 Br2 Fe N5
• Calculated formula: C36 H53 Br2 Fe N5
• Title of publication: Ferrate(ii) complexes with redox-active formazanate ligands.
• Authors of publication: Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 26
• Pages of publication: 8817 - 8823
• a: 9.4704 ± 0.0003 Å
• b: 16.8186 ± 0.0005 Å
• c: 22.8415 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3638.17 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0197
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No