Information card for entry 7020106

Structure parameters

• Chemical name: (2,9-bis(2',5'-diazahexanyl)-1,10-phenanthroline)-nickel(II) bis(hexafluorophosphate)
• Formula: C20 H27 F12 N6 Ni P2
• Calculated formula: C20 H27 F12 N6 Ni P2
• Title of publication: Potential cytotoxic and amoebicide activity of first row transition metal compounds with 2,9-bis-(2',5'-diazahexanyl)-1,1-phenanthroline (L1).
• Authors of publication: García-Ramos, Juan Carlos; Toledano-Magaña, Yanis; Talavera-Contreras, Luis Gabriel; Flores-Álamo, Marcos; Ramírez-Delgado, Vanessa; Morales-León, Emmanuel; Ortiz-Frade, Luis; Gutiérrez, Anllely Grizett; Vázquez-Aguirre, Adriana; Mejía, Carmen; Carrero, Julio César; Laclette, Juan Pedro; Moreno-Esparza, Rafael; Ruiz-Azuara, Lena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10164 - 10174
• a: 8.8678 ± 0.0002 Å
• b: 24.4763 ± 0.0006 Å
• c: 12.1043 ± 0.0004 Å
• α: 90°
• β: 93.802 ± 0.003°
• γ: 90°
• Cell volume: 2621.47 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No