Information card for entry 7128064

Structure parameters

• Formula: C89 H59 B F24 Fe P2 Ru
• Calculated formula: C89 H59 B F24 Fe P2 Ru
• SMILES: C(=C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82C#Cc1ccccc1)c1ccccc1)=[Ru]12345([cH]6[cH]1[cH]2[cH]3[cH]46)[P](c1ccccc1)(c1ccccc1)CC[P]5(c1ccccc1)c1ccccc1.c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.
• Authors of publication: Korb, Marcus; Moggach, Stephen A.; Low, Paul J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 35
• Pages of publication: 4251 - 4254
• a: 12.9925 ± 0.0002 Å
• b: 17.0979 ± 0.0003 Å
• c: 19.4724 ± 0.0003 Å
• α: 67.218 ± 0.001°
• β: 77.55 ± 0.001°
• γ: 89.347 ± 0.001°
• Cell volume: 3881.93 ± 0.11 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No