Information card for entry 7042893

Structure parameters

• Formula: C23 H25 B F4 N2 Ni O2
• Calculated formula: C22.966 H24.898 B F4 N2 Ni O2
• Title of publication: Tuning the overpotential of electrocatalytically active cyclopentadienylnickel complexes containing 1,4-diaza-1,3-butadienes (DAB) for proton reduction.
• Authors of publication: Sondermann, Christina; Ringenberg, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5143 - 5146
• a: 9.1415 ± 0.0008 Å
• b: 21.906 ± 0.002 Å
• c: 11.8206 ± 0.001 Å
• α: 90°
• β: 104.863 ± 0.004°
• γ: 90°
• Cell volume: 2287.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0362
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No