Information card for entry 4346886

Structure parameters

• Formula: C22 H33 B F4 Mo2 N3 O3 P
• Calculated formula: C22 H33 B F4 Mo2 N3 O3 P
• SMILES: [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789%10(N=O)([NH]2O7)[cH]2[cH]6[cH]%10[cH]9[cH]82)(N=O)[cH]2[cH]3[cH]4[cH]5[cH]21.[B](F)(F)(F)[F-]
• Title of publication: Mild N-O Bond Cleavage Reactions of a Pyramidalized Nitrosyl Ligand Bridging a Dimolybdenum Center.
• Authors of publication: Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Toyos, Adrián
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10536 - 10538
• a: 11.4908 ± 0.0002 Å
• b: 15.6195 ± 0.0003 Å
• c: 14.3882 ± 0.0003 Å
• α: 90°
• β: 93.423 ± 0.002°
• γ: 90°
• Cell volume: 2577.79 ± 0.09 ų
• Cell temperature: 137 ± 1 K
• Ambient diffraction temperature: 137 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No