Information card for entry 1513710

Structure parameters

• Common name: holkc14
• Formula: C82 H116 Fe2 K2 N4 O2
• Calculated formula: C82 H116 Fe2 K2 N4 O2
• Title of publication: Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites.
• Authors of publication: Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 267
• a: 37.332 ± 0.002 Å
• b: 9.7164 ± 0.0006 Å
• c: 23.2858 ± 0.0013 Å
• α: 90°
• β: 111.588 ± 0.001°
• γ: 90°
• Cell volume: 7854 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No