Information card for entry 7044839

Structure parameters

• Formula: C39 H31 Co2 O6 P3
• Calculated formula: C39 H31 Co2 O6 P3
• SMILES: P1(=P2(P(=C3C1=CC(=C3)C(C)(C)C)(c1ccccc1)c1ccccc1)[Co]([Co]2(C#[O])(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: 10.6793 ± 0.0004 Å
• b: 11.8419 ± 0.0005 Å
• c: 14.9909 ± 0.0007 Å
• α: 87.867 ± 0.003°
• β: 84.483 ± 0.003°
• γ: 78.487 ± 0.003°
• Cell volume: 1848.73 ± 0.14 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: 0.1194
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No