Information card for entry 1515055

Structure parameters

• Common name: ((Ph-NCN)LuH)2(THF)(PhCHCHPh)
• Formula: C80 H100 Lu2 N4 O
• Calculated formula: C80 H100 Lu2 N4 O
• SMILES: [CH]1(=[CH]2[c]34[cH]5[cH]6[cH]7[cH]8[cH]3[Lu]39%1045678([N](c4c(C(C)C)cccc4C(C)C)=C(c4ccccc4)N3c3c(C(C)C)cccc3C(C)C)[Lu]312([N](c1c(C(C)C)cccc1C(C)C)=C(c1ccccc1)N3c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)([H]%10)[H]9)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: 15.161 ± 0.002 Å
• b: 17.449 ± 0.003 Å
• c: 18.27 ± 0.003 Å
• α: 76.958 ± 0.003°
• β: 76.864 ± 0.003°
• γ: 70.969 ± 0.003°
• Cell volume: 4388.8 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No