Information card for entry 4329635

Structure parameters

• Formula: C41 H36 B Cl2 F4 Mo2 N O P2 S
• Calculated formula: C41 H36 B Cl2 F4 Mo2 N O P2 S
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]16782345[n]2c([S]7[Mo]34578([cH]8[cH]3[cH]4[cH]5[cH]78)(C#[O])([P]1(c1ccccc1)c1ccccc1)[P]6(c1ccccc1)c1ccccc1)cccc2.C(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Reactions of the Tetrafluoroborate Complex [Mo2Cp2(κ2-F2BF2)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, Se, N, P)
• Authors of publication: Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7284 - 7295
• a: 9.2349 ± 0.0006 Å
• b: 16.7867 ± 0.0011 Å
• c: 26.6004 ± 0.0017 Å
• α: 90°
• β: 94.078 ± 0.001°
• γ: 90°
• Cell volume: 4113.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• 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: 0.1306
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No