Information card for entry 7115243

Structure parameters

• Formula: C64 H40 B F24 Mo O2 P
• Calculated formula: C64 H32 B F24 Mo O2 P
• SMILES: [Mo]12345([P](c6ccccc6)(c6ccccc6)[C]61=CC=CC=C6)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21.[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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.c1ccccc1C
• Title of publication: An uncommon bonding mode of a familiar ligand: a molybdenum complex with a four-electron donor chelating η3-PPh3 ligand, and its structural determination using synchrotron radiation
• Authors of publication: Cheng, Tan-Yun; Szalda, David J.; Morris Bullock, R.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1629
• a: 15.371 ± 0.002 Å
• b: 24.095 ± 0.002 Å
• c: 17.319 ± 0.002 Å
• α: 90 ± 0.02°
• β: 106.67 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 6144.8 ± 1.3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections: 0.2097
• Weighted residual factors for significantly intense reflections: 0.1899
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 1.1 Å
• Diffraction radiation type: x-rays
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No