Information card for entry 7054888

Structure parameters

• Formula: C26 H29 N2 P
• Calculated formula: C26 H29 N2 P
• SMILES: P(c1ccc(cc1)C)(c1ccc(cc1)C)/C(=N\c1ccccc1)NC1CCCC1
• Title of publication: Half-sandwich rare-earth metal tris(alkyl) ate complexes catalyzed phosphaguanylation reaction of phosphines with carbodiimides: an efficient synthesis of phosphaguanidines
• Authors of publication: Ma, Wangyang; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7649
• a: 6.1617 ± 0.0008 Å
• b: 10.5098 ± 0.0013 Å
• c: 17.3476 ± 0.0017 Å
• α: 90°
• β: 98.607 ± 0.01°
• γ: 90°
• Cell volume: 1110.7 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No