Information card for entry 7103515

Structure parameters

• Formula: C48 H82 I2 Nd2 O6 P2
• Calculated formula: C48 H82 I2 Nd2 O6 P2
• SMILES: I[Nd]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)P(c2c(cccc2C(C)C)C(C)C)[Nd](I)([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)P1c1c(cccc1C(C)C)C(C)C
• Title of publication: An unprecedented lanthanide phosphinidene halide: synthesis, structure and reactivity.
• Authors of publication: Cui, Peng; Chen, Yaofeng; Xu, Xin; Sun, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5547 - 5549
• a: 16.594 ± 0.005 Å
• b: 17.531 ± 0.005 Å
• c: 19.604 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5703 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No