Information card for entry 7016474

Structure parameters

• Formula: C12 H32 Cl2 Fe O8 P4
• Calculated formula: C12 H32 Cl2 Fe O8 P4
• SMILES: C1C[P](CO)([Fe]2([P]1(CO)CO)(Cl)([P](CC[P]2(CO)CO)(CO)CO)Cl)CO
• Title of publication: Reactions of coordinated hydroxymethylphosphines with NH-functional amines: the phosphorus lone pair is crucial for the phosphorus Mannich reaction.
• Authors of publication: Swor, Charles D.; Hanson, Kyle R.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8604 - 8610
• a: 7.7855 ± 0.0004 Å
• b: 13.0809 ± 0.0007 Å
• c: 10.4136 ± 0.0006 Å
• α: 90°
• β: 92.393 ± 0.001°
• γ: 90°
• Cell volume: 1059.61 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No