Information card for entry 4336276

Structure parameters

• Formula: C45.36 H34.64 B Cl0.64 Cr1.68 O7.05 P3
• Calculated formula: C45.364 H34 B Cl0.636 Cr1.682 O7.046 P3
• Title of publication: Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference
• Authors of publication: Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11438 - 11449
• a: 9.94 ± 0.004 Å
• b: 10.936 ± 0.005 Å
• c: 22.352 ± 0.01 Å
• α: 101.638 ± 0.016°
• β: 91.474 ± 0.012°
• γ: 114.719 ± 0.015°
• Cell volume: 2145.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No