Information card for entry 7041459

Structure parameters

• Formula: C56 H74 B2 Gd2 N2 O2 Si2
• Calculated formula: C56 H74 B2 Gd2 N2 O2 Si2
• SMILES: B1(C=[CH]2C34[Gd]56789%102([c]2([c]%115cccc[c]%11[c]5%10cccc[c]259)[Si](C)(C)C25[CH]9=CB(N(CC)CC)[CH]%10=[CH]2[Gd]259%10%11%12%13([H]6)([c]5([c]62[c]%12(cccc6)[c]2%13cccc[c]52%11)[Si]4(C)C)([H]7)[O]2CCCC2)([O]2CCCC2)[CH]1=[C]38)N(CC)CC
• Title of publication: Rare-earth metal hydrides supported by silicon-bridged boratabenzene fluorenyl ligands: synthesis, structure and reactivity.
• Authors of publication: Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1218 - 1227
• a: 17.2378 ± 0.0019 Å
• b: 17.577 ± 0.002 Å
• c: 19.014 ± 0.002 Å
• α: 90°
• β: 114.3 ± 0.002°
• γ: 90°
• Cell volume: 5250.6 ± 1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No