Information card for entry 4131336

Structure parameters

• Formula: C54 H45 F12 Fe N9 P2
• Calculated formula: C54 H45 F12 Fe N9 P2
• Title of publication: Electrochromic Metallo-Organic Nanoscale Films: Fabrication, Color Range, and Devices.
• Authors of publication: Elool Dov, Neta; Shankar, Sreejith; Cohen, Dana; Bendikov, Tatyana; Rechav, Katya; Shimon, Linda J. W.; Lahav, Michal; van der Boom, Milko E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 33
• Pages of publication: 11471 - 11481
• a: 15.2797 ± 0.0011 Å
• b: 21.3748 ± 0.0015 Å
• c: 21.7718 ± 0.0015 Å
• α: 74.223 ± 0.01°
• β: 77.054 ± 0.01°
• γ: 79.381 ± 0.011°
• Cell volume: 6610.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1296
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No