Information card for entry 7704655

Structure parameters

• Formula: C42 H52 Cl2 Fe2 N2 O2 P2 Rh2
• Calculated formula: C42 H52 Cl2 Fe2 N2 O2 P2 Rh2
• 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: 11.0602 ± 0.0003 Å
• b: 14.4369 ± 0.0004 Å
• c: 13.1738 ± 0.0004 Å
• α: 90°
• β: 92.044 ± 0.001°
• γ: 90°
• Cell volume: 2102.19 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No