Information card for entry 7046563

Structure parameters

• Formula: C62 H73 B F4 Fe2 N5 O3 P2
• Calculated formula: C62 H73 B F4 Fe2 N5 O3 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: 21.1283 ± 0.0008 Å
• b: 15.3003 ± 0.0005 Å
• c: 23.5487 ± 0.0008 Å
• α: 90°
• β: 104.996 ± 0.002°
• γ: 90°
• Cell volume: 7353.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No