Information card for entry 7011355

Structure parameters

• Chemical name: trans-K{[FeCl(NO^0^)(cyclam)].[FeCl(NO^+^)(cyclam)]~2~}(PF~6~)~6~
• Formula: C15 H36 Cl1.5 F18 Fe1.5 K0.5 N7.5 O1.5 P3
• Calculated formula: C15 H36 Cl1.5 F18 Fe1.5 K0.5 N7.5 O1.5 P3
• Title of publication: Crystal structure, electrochemical and spectroscopic properties of the trans-K{[FeCl(NO0)(cyclam)]·[FeCl(NO+)(cyclam)]2}(PF6)6 complex
• Authors of publication: Lopes, Luiz G. F.; Sousa, Eduardo H. S.; Miranda, José C. V.; Oliveira, Cristiane P.; Carvalho, Idalina M. M.; Batista, Alzir A.; Ellena, Javier; Castellano, Eduardo E.; Nascimento, Otaciro R.; Moreira, Ícaro S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1903
• a: 10.356 ± 0.0003 Å
• b: 17.711 ± 0.0006 Å
• c: 17.948 ± 0.0006 Å
• α: 90°
• β: 91.052 ± 0.002°
• γ: 90°
• Cell volume: 3291.38 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No