Information card for entry 7044840

Structure parameters

• Formula: C38 H31 Cr O5 P3
• Calculated formula: C38 H31 Cr O5 P3
• SMILES: P1(=[P](P(=C2C1=CC(=C2)C(C)(C)C)(c1ccccc1)c1ccccc1)[Cr](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: 11.2512 ± 0.0008 Å
• b: 11.7421 ± 0.0007 Å
• c: 15.0867 ± 0.001 Å
• α: 91.279 ± 0.003°
• β: 101.068 ± 0.003°
• γ: 114.47 ± 0.002°
• Cell volume: 1768.8 ± 0.2 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: 0.0411
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No