Information card for entry 4060721

Structure parameters

• Formula: C52 H64 N8 O5 Sm2
• Calculated formula: C52 H64 N8 O5 Sm2
• SMILES: [Sm]12345678(n9cccc9C=[N]1c1ccccc1N2[C@@H]1[c]29[cH]%10[Sm]%11%12%13%14%152([n]39[cH]%15[cH]%10%14)([n]24[cH]5[cH]6[cH]7[c]82[C@H]1N%11c1ccccc1[N]%12=Cc1n%13ccc1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[Sm]12345678(n9cccc9C=[N]1c1ccccc1N2[C@H]1[c]29[cH]%10[Sm]%11%12%13%14%152([n]39[cH]%15[cH]%10%14)([n]24[cH]5[cH]6[cH]7[c]82[C@@H]1N%11c1ccccc1[N]%12=Cc1n%13ccc1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Novel Chiral and Achiral NCN Pincer Complexes Based on 1,3-Bis(1,2,4-triazol- 1-ylmethyl)benzene
• Authors of publication: Díez-Barra, E.; Guerra, J.; López-Solera, Isabel; Merino, S.; Rodríguez-López, J.; Sánchez-Verdú, P.; Tejeda, J.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 17.8715 ± 0.0016 Å
• b: 16.2171 ± 0.0014 Å
• c: 18.1897 ± 0.0016 Å
• α: 90°
• β: 110.655 ± 0.002°
• γ: 90°
• Cell volume: 4932.9 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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