Information card for entry 7046564

Structure parameters

• Formula: C6 H18 Fe N2 O2 P2
• Calculated formula: C6 H18 Fe N2 O2 P2
• Title of publication: Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.
• Authors of publication: Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11812 - 11819
• a: 7.314 ± 0.002 Å
• b: 13.917 ± 0.004 Å
• c: 14.263 ± 0.004 Å
• α: 119.081 ± 0.003°
• β: 90.263 ± 0.003°
• γ: 93.646 ± 0.004°
• Cell volume: 1265.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No