Information card for entry 7235921

Structure parameters

• Formula: C18 H12 Cl Fe N4 O3
• Calculated formula: C18 H12 Cl Fe N4 O3
• Title of publication: Electrochemical-driven water reduction and oxidation catalyzed by an iron(iii) complex supported by 2,3-bis(2-hydroxybenzylideneimino)-2,3-butenedinitrile
• Authors of publication: Fu, Ling-Zhi; Zhou, Ling-Ling; Zhan, Shu-Zhong
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 53
• Pages of publication: 42287
• a: 6.9901 ± 0.0007 Å
• b: 10.924 ± 0.0011 Å
• c: 12.1442 ± 0.0013 Å
• α: 97.445 ± 0.002°
• β: 98.875 ± 0.002°
• γ: 105.9 ± 0.002°
• Cell volume: 866.64 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No