Information card for entry 7709639

Structure parameters

• Chemical name: Bis[2,2':6',2''-terpyridine]iron(II) diperchlorate bis-acetonitrile solvate
• Formula: C34 H28 Cl2 Fe N8 O8
• Calculated formula: C34 H28 Cl2 Fe N8 O8
• Title of publication: Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate
• Authors of publication: Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.232 ± 0.0001 Å
• b: 12.232 ± 0.0001 Å
• c: 47.2452 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7068.91 ± 0.12 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No