Information card for entry 4062263

Structure parameters

• Formula: C56 H136 B16 Gd2 Na2 O6 Si8
• Calculated formula: C56 H136 B16 Gd2 Na2 O6 Si8
• SMILES: [Gd]123456789%10([C]%11%12([Si](C)(C)C)[BH]%131[C]12([Si](C)(C)C)[BH]23[BH]4%11[BH]%12%1312)[C]12([Si](C)(C)C)[BH]35[C]46([Si](C)(C)C)[BH]567[BH]81([BH]2345)[Gd]61234578%11([C]%12%13([Si](C)(C)C)[BH]%141[C]12([Si](C)(C)C)[BH]23[BH]4%12[BH]%13%1412)[C]12([Si](C)(C)C)[BH]35[C]4%11([Si](C)(C)C)[BH]579[BH]81%10[BH]2345.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 29. Synthetic and Structural Studies on Lanthanacarboranes with Two and Three "Carbons Apart" Carborane Cages Bonding to Ln(III) Metal (Ln(III) = Nd, Gd, Dy, Ho, Er, Tb, Lu)
• Authors of publication: Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Sarkar, Biprajit; Kaim, Wolfgang; Hosmane, Narayan S.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 21
• Pages of publication: 4334 - 4342
• a: 11.644 ± 0.002 Å
• b: 17.426 ± 0.003 Å
• c: 22.031 ± 0.004 Å
• α: 90°
• β: 92.244 ± 0.004°
• γ: 90°
• Cell volume: 4467.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No