Information card for entry 1519844

Structure parameters

• Formula: C27 H41 Ga I3 Mo O2 P
• Calculated formula: C27 H41 Ga I3 Mo O2 P
• SMILES: C(#[O])[Mo]123456(C#[O])([cH]7[cH]1[cH]2[cH]3[cH]4[cH]5[cH]67)[Ga](I)(I)I.C1(CCCCC1)[PH+](C1CCCCC1)C1CCCCC1
• Title of publication: (C18H34P) . (C9H7GaI3MoO2)
• Authors of publication: Aldridge, Simon; Male, Louise; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 339
• a: 9.2979 ± 0.0005 Å
• b: 18.4632 ± 0.0008 Å
• c: 18.9798 ± 0.0009 Å
• α: 90°
• β: 99.325 ± 0.003°
• γ: 90°
• Cell volume: 3215.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No