Information card for entry 7046567

Structure parameters

• Formula: C114.4 H123.8 Fe4 N5 O2.85 P6
• Calculated formula: C114.4 H123.8 Fe4 N5 O2.85 P6
• 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: 18.1733 ± 0.0014 Å
• b: 18.5346 ± 0.0014 Å
• c: 20.2827 ± 0.0015 Å
• α: 103.179 ± 0.002°
• β: 113.672 ± 0.002°
• γ: 106.712 ± 0.002°
• Cell volume: 5514.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1074
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No