Information card for entry 4087951

Structure parameters

• Formula: C23 H29 Fe N3
• Calculated formula: C23 H29 Fe N3
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1ccc(cc1)N=C(NC(C)C)NC(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity
• Authors of publication: Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 5407
• a: 37.239 ± 0.003 Å
• b: 37.239 ± 0.003 Å
• c: 8.0789 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9702.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No