Information card for entry 4119880

Structure parameters

• Formula: C22 H26 Cl2 Fe N6 O9
• Calculated formula: C22 H26 Cl2 Fe N6 O9
• Title of publication: Nonprecious-Metal-Assisted Photochemical Hydrogen Production from ortho-Phenylenediamine
• Authors of publication: Takeshi Matsumoto; Ho-Chol Chang; Masanori Wakizaka; Sho Ueno; Atsushi Kobayashi; Akira Nakayama; Tetsuya Taketsugu; Masako Kato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8646 - 8654
• a: 14.7311 ± 0.0019 Å
• b: 9.9389 ± 0.0011 Å
• c: 18.389 ± 0.002 Å
• α: 90°
• β: 98.05 ± 0.0018°
• γ: 90°
• Cell volume: 2665.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No