Information card for entry 7124974

Structure parameters

• Formula: C29 H41 F6 Fe N4 O2 P
• Calculated formula: C29 H41 F6 Fe N4 O2 P
• Title of publication: Nitrite reduction by a pyridinediimine complex with a proton-responsive secondary coordination sphere.
• Authors of publication: Kwon, Yubin M.; Delgado, Mayra; Zakharov, Lev N.; Seda, Takele; Gilbertson, John D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 73
• Pages of publication: 11016 - 11019
• a: 21.0286 ± 0.0015 Å
• b: 8.7204 ± 0.0007 Å
• c: 17.6555 ± 0.0012 Å
• α: 90°
• β: 99.237 ± 0.005°
• γ: 90°
• Cell volume: 3195.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1132
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No