Information card for entry 7121218

Structure parameters

• Formula: C34 H58 B2 Cl6 Fe K N6 O14
• Calculated formula: C34 H58 B2 Cl6 Fe0.998 K N6 O14
• Title of publication: Synthesis and characterization of an Fe(i) cage complex with high stability towards strong H-acids.
• Authors of publication: Voloshin, Yan Z.; Novikov, Valentin V.; Nelyubina, Yulia V.; Belov, Alexander S.; Roitershtein, Dmitrii M.; Savitsky, Anton; Mokhir, Andriy; Sutter, Jörg; Miehlich, Matthias E.; Meyer, Karsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 3436 - 3439
• a: 12.1407 ± 0.0014 Å
• b: 12.3264 ± 0.0015 Å
• c: 18.962 ± 0.002 Å
• α: 76.882 ± 0.002°
• β: 79.997 ± 0.002°
• γ: 62.072 ± 0.002°
• Cell volume: 2434.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No