Information card for entry 7704652

Structure parameters

• Chemical name: PH2C(O)NH[Fe]
• Formula: C11 H12 Fe N O P
• Calculated formula: C11 H12 Fe N O P
• Title of publication: Novel ferrocenyl functionalised phosphinecarboxamides: synthesis, characterisation and coordination.
• Authors of publication: Navrátil, Michal; Faria, Erica N.; Panahy, Geve; Císařová, Ivana; Goicoechea, Jose M.; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8645 - 8651
• a: 15.9398 ± 0.0005 Å
• b: 7.9962 ± 0.0003 Å
• c: 17.9686 ± 0.0005 Å
• α: 90°
• β: 103.758 ± 0.003°
• γ: 90°
• Cell volume: 2224.53 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No