Information card for entry 7116725

Structure parameters

• Formula: C108 H112 N6 P4 Y2
• Calculated formula: C108 H112 N6 P4 Y2
• SMILES: [N]1(=P(N2[Y]1345([N](=P2(c1ccccc1)c1ccccc1)c1c(C(C)C)cccc1C(C)C)[H][Y]12([H]3)([H]4)([H]5)[N](=P(N2P(=[N]1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C.c1ccccc1.c1ccccc1
• Title of publication: Neutral binuclear rare-earth metal complexes with four μ2-bridging hydrides
• Authors of publication: Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A.; Lyubov, Dmitrii M.; Cui, Dongmei
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 5063 - 5065
• a: 13.1802 ± 0.0019 Å
• b: 18.73 ± 0.003 Å
• c: 19.619 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4843.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.2187
• Residual factor for significantly intense reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.2963
• Weighted residual factors for all reflections included in the refinement: 0.3451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No