Information card for entry 4076696

Structure parameters

• Formula: C36 H24 F12 Fe N2 O8
• Calculated formula: C36 H24 F12 Fe N2 O8
• SMILES: [Fe]12345678([c]9(c%10c%11[nH+]cccc%11ccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1(c2c3[nH+]cccc3ccc2)[cH]5[cH]6[cH]7[cH]81.C(=O)(C(F)(F)F)[O-].OC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)[O-]
• Title of publication: Novel Heterobimetallic Compounds with Metal−Metal Bonds: The Use of Quinolyl-Substituted Metallocenes as Tridentate Ligands†
• Authors of publication: Enders, Markus; Kohl, Gerald; Pritzkow, Hans
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1111
• a: 7.0474 ± 0.0004 Å
• b: 20.6909 ± 0.0013 Å
• c: 24.7122 ± 0.0016 Å
• α: 90°
• β: 93.752 ± 0.002°
• γ: 90°
• Cell volume: 3595.7 ± 0.4 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: 0.0709
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No