Information card for entry 4087955

Structure parameters

• Common name: GuanidinaFc
• Formula: C17 H25 Fe N3
• Calculated formula: C17 H25 Fe N3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)N=C(NC(C)C)NC(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 15.522 ± 0.001 Å
• b: 11.7101 ± 0.0007 Å
• c: 9.2705 ± 0.0006 Å
• α: 90°
• β: 93.101 ± 0.003°
• γ: 90°
• Cell volume: 1682.58 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No