Information card for entry 4324974

Structure parameters

• Formula: C72 H80 B2 F8 N5 Ni O8.5 P4
• Calculated formula: C72 H80 B2 F8 N5 Ni O8.5 P4
• Title of publication: Incorporating Peptides in the Outer-Coordination Sphere of Bioinspired Electrocatalysts for Hydrogen Production
• Authors of publication: Avijita Jain; Sheri Lense; John C. Linehan; Simone Raugei; Herman Cho; Daniel L. DuBois; Wendy J. Shaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4073 - 4085
• a: 15.136 ± 0.003 Å
• b: 16.413 ± 0.003 Å
• c: 14.909 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3703.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No