Information card for entry 7703307

Structure parameters

• Formula: C64 H65 Cl4 F12 N Ni2 P6 S2
• Calculated formula: C64 H65 Cl4 F12 N Ni2 P6 S2
• Title of publication: A bioinspired thiolate-bridged dinickel complex with a pendant amine: synthesis, structure and electrocatalytic properties.
• Authors of publication: Sun, Puhua; Yang, Dawei; Li, Ying; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2151 - 2158
• a: 13.2896 ± 0.0007 Å
• b: 35.8764 ± 0.0018 Å
• c: 14.5814 ± 0.0007 Å
• α: 90°
• β: 97.5201 ± 0.0011°
• γ: 90°
• Cell volume: 6892.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No