Information card for entry 7703309

Structure parameters

• Formula: C104 H96 B2 Ni2 P4 S3
• Calculated formula: C104 H96 B2 Ni2 P4 S3
• 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: 28.1408 ± 0.0018 Å
• b: 13.9434 ± 0.0009 Å
• c: 25.579 ± 0.0017 Å
• α: 90°
• β: 106.097 ± 0.002°
• γ: 90°
• Cell volume: 9643.1 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No