Information card for entry 4350136

Structure parameters

• Formula: C44 H52 Cl2 Fe4 P4 Ru
• Calculated formula: C44 H52 Cl2 Fe4 P4 Ru
• SMILES: C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[PH2][Ru]([PH2]C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)([PH2]C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([PH2]C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)Cl
• Title of publication: Spectroscopic characterization of primary and secondary phosphine ligation on ruthenium(II) complexes.
• Authors of publication: Paris, Shadrick I. M.; Petersen, Jeffrey L.; Hey-Hawkins, Evamarie; Jensen, Michael P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5561 - 5567
• a: 14.842 ± 0.002 Å
• b: 11.4839 ± 0.0015 Å
• c: 12.8433 ± 0.0017 Å
• α: 90°
• β: 103.49 ± 0.002°
• γ: 90°
• Cell volume: 2128.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No