Information card for entry 4317409

Structure parameters

• Formula: C36 H34 B Cl4 F4 Mo O2 P
• Calculated formula: C36 H34 B Cl4 F4 Mo O2 P
• SMILES: [Mo]1234567([OH]c8c([c]91[cH]2[cH]3[cH]4[cH]5[cH]6[cH]79)cc(cc8C)C)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Molybdenum Complexes with Linked Cycloheptatrienyl-Phenolate Ligands
• Authors of publication: Matthias Tamm; Thomas Bannenberg; Bernd Dreßel; Roland Fröhlich; Christiane Holst
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 47 - 59
• a: 17.849 ± 0.002 Å
• b: 20.516 ± 0.002 Å
• c: 11.566 ± 0.001 Å
• α: 90°
• β: 119.96 ± 0.01°
• γ: 90°
• Cell volume: 3669.4 ± 0.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No