Information card for entry 7061932

Structure parameters

• Formula: C35 H40 Fe O P2
• Calculated formula: C35 H40 Fe O P2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)P(c1ccccc1)c1ccccc1)[c]1([cH]8[cH]7[cH]6[cH]51)P(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis, coordination behavior, and catalytic properties of dppf congeners with an inserted carbonyl moiety
• Authors of publication: Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21536 - 21552
• a: 6.014 ± 0.0002 Å
• b: 11.4903 ± 0.0005 Å
• c: 22.1721 ± 0.001 Å
• α: 85.552 ± 0.002°
• β: 84.954 ± 0.001°
• γ: 78.179 ± 0.001°
• Cell volume: 1491.06 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No