Information card for entry 1515052

Structure parameters

• Common name: ((PhNCN)YH)2(CH2NAr*)(THF)3
• Formula: C83 H115 N5 O3 Y2
• Calculated formula: C83 H115 N5 O3 Y2
• SMILES: CC(c1cccc(c1N1C(=[N]([Y]231([H][Y]14([H]3)([CH2]2N1c1c(C)cccc1C)([O]1CCCC1)N(C(=[N]4c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)C(C)C)C
• Title of publication: Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands
• Authors of publication: Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2230
• a: 11.898 ± 0.003 Å
• b: 23.121 ± 0.006 Å
• c: 35.564 ± 0.009 Å
• α: 90°
• β: 90.028 ± 0.004°
• γ: 90°
• Cell volume: 9783 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No