Information card for entry 4320784

Structure parameters

• Formula: C36 H36 Er N3 O13 P2
• Calculated formula: C36 H36 Er N3 O13 P2
• Title of publication: Synthesis and Coordination Chemistry of 2,6-Bis(diphenylphosphinomethyl)phenol P,P'-Dioxides
• Authors of publication: Robert T. Paine; Yun-Chou Tan; Xin-Min Gan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 7009 - 7013
• a: 28.844 ± 0.003 Å
• b: 28.844 ± 0.003 Å
• c: 10.575 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8798.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.0983
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No