Information card for entry 4126499

Structure parameters

• Formula: C37 H12 Ag B F24 Fe O5
• Calculated formula: C37 H12 Ag B F24 Fe O5
• SMILES: [B]1([c]2([Ag]([Fe](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[c]31cc(cc(C(F)(F)F)c3)C(F)(F)F)cc(cc(C(F)(F)F)c2)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Heterobimetallic Silver‒Iron Complexes Involving Fe(CO)5 Ligands
• Authors of publication: Wang, Guocang; Ceylan, Yavuz S.; Cundari, Thomas R.; Dias, H. V. Rasika
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 23.7843 ± 0.0011 Å
• b: 13.406 ± 0.0006 Å
• c: 17.1448 ± 0.0014 Å
• α: 90°
• β: 132.317 ± 0.001°
• γ: 90°
• Cell volume: 4042.2 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 102.68 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No