Information card for entry 7704654

Structure parameters

• Formula: C20 H24 Cl2 Fe N O P Ru
• Calculated formula: C20 H24 Cl2 Fe N O P Ru
• SMILES: [Ru]12345([PH2]C(=O)N[c]67[Fe]89%10%11%12%13%14([cH]6[cH]8[cH]9[cH]7%10)[cH]6[cH]%11[cH]%12[cH]%13[cH]%146)(Cl)(Cl)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C
• 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: 20.2447 ± 0.0008 Å
• b: 9.5396 ± 0.0004 Å
• c: 10.8062 ± 0.0004 Å
• α: 90°
• β: 94.591 ± 0.002°
• γ: 90°
• Cell volume: 2080.27 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No