Information card for entry 4333688

Structure parameters

• Formula: C28 H20 F6 Fe N4 O6 S2
• Calculated formula: C28 H20 F6 Fe N4 O6 S2
• SMILES: [Fe]12345678([cH]9[cH]7[c]1([cH]2[cH]39)c1nc2[nH+]cccc2cc1)[cH]1[cH]6[cH]8[cH]4[c]51c1nc2[nH+]cccc2cc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion
• Authors of publication: Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1432 - 1442
• a: 10.205 ± 0.003 Å
• b: 13.222 ± 0.004 Å
• c: 22.065 ± 0.006 Å
• α: 82.369 ± 0.005°
• β: 87.672 ± 0.005°
• γ: 75.108 ± 0.005°
• Cell volume: 2851.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1179
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No