Information card for entry 7128485

Structure parameters

• Formula: C27 H32 Cl2 F12 Fe N14 P2
• Calculated formula: C26 H30 F12 Fe N14 P2
• SMILES: [Fe]1234([n]5nn(cc5c5[n]1c(ccc5)c1[n]2nn(c1)CC)CC)[n]1nn(cc1c1[n]3c(ccc1)c1[n]4nn(c1)CC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.6525 ± 0.0006 Å
• b: 13.4838 ± 0.0007 Å
• c: 13.7533 ± 0.0007 Å
• α: 92.055 ± 0.002°
• β: 103.119 ± 0.002°
• γ: 111.67 ± 0.002°
• Cell volume: 1938.61 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No