Information card for entry 4330587

Structure parameters

• Formula: C69 H126 B2 Er2 N18 Si4
• Calculated formula: C69 H126 B2 Er2 N18 Si4
• SMILES: [Er]123([n]4n([BH](n5[n]1c(C)cc5C)n1[n]2c(C)cc1C)c(cc4C)C)([N](C1CCCCC1)=C(N3C1CCCCC1)C)N([Si](C)(C)C)[Si](C)(C)C.[Er]1234([n]5n([BH](n6[n]1c(C)cc6C)n1[n]2c(C)cc1C)c(cc5C)C)[N](C1CCCCC1)=C(N3C1CCCCC1)C[Si](N4[Si](C)(C)C)(C)C
• Title of publication: Me-Si Bond Cleavage of Anionic Bis(trimethylsilyl)amide in Scorpionate-Anchored Rare Earth Metal Complexes
• Authors of publication: Weiyin Yi; Jie Zhang; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10631 - 10638
• a: 16.77 ± 0.009 Å
• b: 13.305 ± 0.008 Å
• c: 38.14 ± 0.02 Å
• α: 90°
• β: 101.077 ± 0.008°
• γ: 90°
• Cell volume: 8351 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.3038
• Weighted residual factors for all reflections included in the refinement: 0.3207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No