Information card for entry 7001363

Structure parameters

• Formula: C6 H9 Fe I2 O6 P
• Calculated formula: C6 H9 Fe I2 O6 P
• SMILES: C([Fe](C#[O])(C#[O])(I)(I)[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: 13.015 ± 0.0012 Å
• b: 11.8082 ± 0.0011 Å
• c: 18.5614 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No