Information card for entry 7713701

Structure parameters

• Formula: C23 H22 As F6 Fe Mo O5 P
• Calculated formula: C23 H22 As F6 Fe Mo O5 P
• SMILES: [Mo]1234([As]5(C(C)=C(C(=C5C)C)C)[Fe]5678(C#[O])([cH]9[cH]5[cH]7[cH]8[cH]69)C#[O])(C#[O])([cH]5[cH]4[cH]3[cH]1[cH]25)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Free and Coordinated Biarsolyls
• Authors of publication: Hill, Anthony; Kirk, Ryan M.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.6104 ± 0.0011 Å
• b: 14.7837 ± 0.0007 Å
• c: 13.7151 ± 0.0012 Å
• α: 90°
• β: 100.707 ± 0.008°
• γ: 90°
• Cell volume: 2711.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0996
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No