Information card for entry 7010554

Structure parameters

• Chemical name: Iron-bis(2,2':6',2'':6'',2'''-quaterpyridine) diperchlorate
• Formula: C40 H28 Cl2 Fe N8 O8
• Calculated formula: C40 H28 Cl2 Fe N8 O8
• SMILES: [Fe]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2c(ccc1)c1ncccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4c(ccc1)c1ncccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The first crystallographically established bis-qtpy (qtpy = 2,2'∶6',2″∶6″,2-quaterpyridine) metal complex
• Authors of publication: Daniela Belli Dell'Amico; Fausto Calderazzo; Ulli Englert; Luca Labella; Fabio Marchetti
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 357 - 358
• a: 10.392 ± 0.003 Å
• b: 8.867 ± 0.004 Å
• c: 40.177 ± 0.009 Å
• α: 90°
• β: 91.39 ± 0.02°
• γ: 90°
• Cell volume: 3701 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2339
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.753
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No