Information card for entry 7044841

Structure parameters

• Formula: C38 H31 Mo O5 P3
• Calculated formula: C38 H31 Mo O5 P3
• SMILES: P1(=[P](P(=C2C=C(C=C12)C(C)(C)C)(c1ccccc1)c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1
• Title of publication: Accessing Multimetallic Complexes with a Phosphorus(I) Zwitterion
• Authors of publication: Kosnik, Stephanie C.; Nascimento, Maxemilian C.; Binder, Justin Frank; Macdonald, Charles L. B.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 11.3621 ± 0.0005 Å
• b: 11.7938 ± 0.0006 Å
• c: 15.1337 ± 0.0008 Å
• α: 91.699 ± 0.002°
• β: 100.767 ± 0.002°
• γ: 114.322 ± 0.002°
• Cell volume: 1802.51 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No