Information card for entry 1515054

Structure parameters

• Common name: (PhNCNLuH(THF))2(PhCHCHPh)
• Formula: C84 H108 Lu2 N4 O2
• Calculated formula: C84 H108 Lu2 N4 O2
• SMILES: CC(c1cccc(c1N1C(=[N]([Lu]231([H][Lu]145([H]3)(C(C2c2ccccc2)[C]34=CC=CC=[CH]53)([O]2CCCC2)N(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[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: 12.53 ± 0.005 Å
• b: 16.733 ± 0.005 Å
• c: 22.194 ± 0.005 Å
• α: 107.824 ± 0.005°
• β: 103.291 ± 0.005°
• γ: 91.97 ± 0.005°
• Cell volume: 4284 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No