Information card for entry 4312868

Structure parameters

• Formula: C16 H41 B2 F8 N Ni P4
• Calculated formula: C16 H41 B2 F8 N Ni P4
• Title of publication: [Ni(Et~2~PCH~2~NMeCH~2~PEt~2~)~2~]^2+^ as a Functional Model for Hydrogenases
• Authors of publication: Calvin J. Curtis; Alex Miedaner; Rebecca Ciancanelli; William W. Ellis; Bruce C. Noll; M. Rakowski DuBois; Daniel L. DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 216 - 227
• a: 18.595 ± 0.003 Å
• b: 9.0279 ± 0.0012 Å
• c: 16.339 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2742.9 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No