Information card for entry 7001364

Structure parameters

• Formula: C8 H18 Fe I2 O8 P2
• Calculated formula: C8 H18 Fe I2 O8 P2
• SMILES: C([Fe](C#[O])(I)(I)([P](OC)(OC)OC)[P](OC)(OC)OC)#[O]
• Title of publication: Diversity and design of metal-based carbon monoxide-releasing molecules (CO-RMs) in aqueous systems: revealing the essential trends
• Authors of publication: Zhang, Wei-Qiang; Atkin, Anthony J.; Thatcher, Robert J.; Whitwood, Adrian C.; Fairlamb, Ian J. S.; Lynam, Jason M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 22
• Pages of publication: 4351 - 4358
• a: 15.8951 ± 0.001 Å
• b: 8.799 ± 0.0006 Å
• c: 13.459 ± 0.0008 Å
• α: 90°
• β: 90.841 ± 0.001°
• γ: 90°
• Cell volume: 1882.2 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0237
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No