Information card for entry 7038981

Structure parameters

• Formula: C28 H24 B Fe O P
• Calculated formula: C28 H24 B Fe O P
• SMILES: [Fe]12345678([cH]9[cH]4[c]3([P@](c3cccc4c%10ccccc%10oc34)(c3ccccc3)[BH3])[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.
• Authors of publication: Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8513 - 8531
• a: 8.5998 ± 0.0003 Å
• b: 11.0603 ± 0.0003 Å
• c: 23.598 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.56 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No