Information card for entry 4081542

Structure parameters

• Chemical name: (3aR,7aR)-[(RFc)-(2-Diiodidomonophenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid
• Formula: C24 H29 Fe I2 N2 O P Sn
• Calculated formula: C24 H29 Fe I2 N2 O P Sn
• SMILES: [Sn]1(I)(I)([O]=P2(N([C@H]3[C@H](N2C)CCCC3)C)[c]23[Fe]456789%10([c]12[cH]6[cH]5[cH]34)[cH]1[cH]%10[cH]9[cH]8[cH]71)c1ccccc1
• Title of publication: Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives
• Authors of publication: Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5906
• a: 10.3324 ± 0.0003 Å
• b: 14.698 ± 0.0004 Å
• c: 35.9428 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5458.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No