Information card for entry 7041464

Structure parameters

• Formula: C64 H66 B2 N2 Nd2 Si2
• Calculated formula: C64 H66 B2 N2 Nd2 Si2
• SMILES: [Nd]123456789%10%11C%12([CH]1=[CH]2B(N(CC)CC)[CH]3=[CH]4%12)[Si](C)(C)[c]12[Nd]34%12%13%14%15%16([c]%171cccc[c]3%17[c]14cccc[c]2%121)(C1([CH]%13=[CH]%14B(N(CC)CC)[CH]%15=[CH]%161)[Si](C)(C)[c]15[c]29[c]8([c]37[c]61cccc3)cccc2)([C]%10#Cc1ccccc1)[C]%11#Cc1ccccc1
• 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: 23.5043 ± 0.0018 Å
• b: 10.7865 ± 0.0008 Å
• c: 27.74 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7032.9 ± 0.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No