Information card for entry 7042894

Structure parameters

• Formula: C22.988 H19 B F9.965 N2 Ni
• Calculated formula: C22.988 H19 B F9.964 N2 Ni
• 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: 19.742 ± 0.0017 Å
• b: 7.5757 ± 0.0005 Å
• c: 15.8268 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2367 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No