Information card for entry 1515053

Structure parameters

• Common name: ((Ph-NCN)2Lu2H3(THF)3)(PhCCHPh)
• Formula: C88 H116 Lu2 N4 O3
• Calculated formula: C88 H116 Lu2 N4 O3
• SMILES: C(=C(c1ccccc1)\[Lu]123([N](c4c(C(C)C)cccc4C(C)C)=C(c4ccccc4)N1c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)[H][Lu]1([N](c4c(C(C)C)cccc4C(C)C)=C(c4ccccc4)N1c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([O]1CCCC1)([H]3)[H]2)/c1ccccc1
• 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: 13.437 ± 0.002 Å
• b: 14.939 ± 0.003 Å
• c: 22.326 ± 0.004 Å
• α: 107.399 ± 0.003°
• β: 102.549 ± 0.003°
• γ: 100.158 ± 0.003°
• Cell volume: 4031.9 ± 1.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No