Information card for entry 4077950

Structure parameters

• Formula: C28 H28 Cu F6 Fe N3 O2 P S
• Calculated formula: C28 H28 Cu F6 Fe N3 O2 P S
• SMILES: [Cu]123([S](CC[C@H]([NH]3C[c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[cH]3[cH]8[cH]9[cH]%10[cH]%113)C(=O)O1)C)[n]1cccc3ccc4ccc[n]2c4c13.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ferrocene-Conjugated Copper(II) Complexes ofl-Methionine and Phenanthroline Bases: Synthesis, Structure, and Photocytotoxic Activity
• Authors of publication: Goswami, Tridib K.; Gadadhar, Sudarshan; Roy, Mithun; Nethaji, Munirathinam; Karande, Anjali A.; Chakravarty, Akhil R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3010
• a: 10.79 ± 0.005 Å
• b: 11.048 ± 0.005 Å
• c: 14.823 ± 0.005 Å
• α: 68.657 ± 0.005°
• β: 85.234 ± 0.005°
• γ: 64.677 ± 0.005°
• Cell volume: 1482.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No