Information card for entry 4088559

Structure parameters

• Formula: C40 H41 Fe O0.5 P2
• Calculated formula: C40 H41 Fe O0.5 P2
• SMILES: [FeH]12345([P](c6ccccc6)(c6c([P]1(c1ccccc1)c1ccccc1)cccc6)c1ccccc1)[c]1([c]4(C)[c]2([c]3([c]51C)C)C)C.O
• Title of publication: Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues
• Authors of publication: Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1151
• a: 11.0278 ± 0.0016 Å
• b: 17.514 ± 0.003 Å
• c: 18.39 ± 0.003 Å
• α: 93.256 ± 0.001°
• β: 103.99 ± 0.001°
• γ: 103.238 ± 0.001°
• Cell volume: 3331.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No