Information card for entry 4333152

Structure parameters

• Formula: C39 H59 Cd Cl2 Fe3 O21 P3 Se3
• Calculated formula: C39 H57 Cd Cl2 Fe3 O21 P3 Se3
• SMILES: [Cd]([Se]=P([Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O])(OC(C)C)OC(C)C)([Se]=P([Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])(OC(C)C)OC(C)C)([Se]=P([Fe]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O])(OC(C)C)OC(C)C)[O].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Novel Metalloreagent Cp(CO)2FeP(Se)(OR)2Produced from P−Se Bond Cleavage in the Thermal Reaction of [CpFe(CO)2]2with Phosphor-1,1-diselenolates
• Authors of publication: Liu, C. W.; Chen, Jem-Min; Santra, Bidyut Kumar; Wen, Sung-Yin; Liaw, Ben-Jie; Wang, Ju-Chun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8820 - 8822
• a: 16.192 ± 0.004 Å
• b: 14.729 ± 0.003 Å
• c: 25.366 ± 0.006 Å
• α: 90°
• β: 95.591 ± 0.005°
• γ: 90°
• Cell volume: 6021 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No