Information card for entry 4082374

Structure parameters

• Formula: C12 H10 Fe2 O10 S2
• Calculated formula: C12 H10 Fe2 O10 S2
• SMILES: [Fe]12([Fe]([S]1CCC(=O)O)([S]2CCC(=O)O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The Dithiolate-Bridged Diiron Hexacarbonyl Complex Na2[(μ-SCH2CH2COO)Fe(CO)3]2as a Water-Soluble PhotoCORM
• Authors of publication: Poh, Hwa Tiong; Sim, Bai Ting; Chwee, Tsz Sian; Leong, Weng Kee; Fan, Wai Yip
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 959
• a: 7.7945 ± 0.0011 Å
• b: 25.126 ± 0.003 Å
• c: 9.1795 ± 0.0012 Å
• α: 90°
• β: 97.415 ± 0.004°
• γ: 90°
• Cell volume: 1782.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No