Information card for entry 7128486

Structure parameters

• Formula: C31 H40 Cl2 F12 Fe N14 P2
• Calculated formula: C30 H38 F12 Fe N14 P2
• Title of publication: Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.
• Authors of publication: Dierks, Philipp; Kruse, Ayla; Bokareva, Olga S.; Al-Marri, Mohammed J; Kalmbach, Jens; Baltrun, Marc; Neuba, Adam; Schoch, Roland; Hohloch, Stephan; Heinze, Katja; Seitz, Michael; Kühn, Oliver; Lochbrunner, Stefan; Bauer, Matthias
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 54
• Pages of publication: 6640 - 6643
• a: 8.5217 ± 0.0014 Å
• b: 36.898 ± 0.006 Å
• c: 13.416 ± 0.002 Å
• α: 90°
• β: 94.519 ± 0.003°
• γ: 90°
• Cell volume: 4205.3 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No