Information card for entry 4346437

Structure parameters

• Formula: C26 H35 Fe2 S2
• Calculated formula: C26 H35 Fe2 S2
• SMILES: [Fe]123456([FeH]789%10%11([S]1c1c([S]27)cccc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.
• Authors of publication: Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10243 - 10249
• a: 9.6939 ± 0.0012 Å
• b: 9.8146 ± 0.0013 Å
• c: 15.415 ± 0.0019 Å
• α: 104.461 ± 0.009°
• β: 100.202 ± 0.009°
• γ: 108.604 ± 0.009°
• Cell volume: 1292.2 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No