Information card for entry 7044835

Structure parameters

• Formula: C33 H31 P3
• Calculated formula: C33 H31 P3
• SMILES: P1(=PP(=C2C=C(C=C12)C(C)(C)C)(c1ccccc1)c1ccccc1)(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: 9.845 ± 0.002 Å
• b: 11.647 ± 0.002 Å
• c: 13.057 ± 0.003 Å
• α: 96.65 ± 0.03°
• β: 106.37 ± 0.03°
• γ: 101.39 ± 0.03°
• Cell volume: 1384.6 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No