Information card for entry 4060723

Structure parameters

• Formula: C52 H80 N8 O6 Sm2
• Calculated formula: C52 H80 N8 O6 Sm2
• SMILES: [Sm]12345678(n9cccc9C(=[N]1CC[N]2=C(C)[C]12=[CH]9[Sm]%10%11%12%13%141([N]32[CH]%14=[CH]9%13)(n1cccc1C(=[N]%10CC[N]%11=C(C)[C]15=[CH]6[CH]7=[CH]8[N]4%121)C)([O]1CCCC1)[O]1CCCC1)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1.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: 11.193 ± 0.001 Å
• b: 17.9546 ± 0.0017 Å
• c: 26.58 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5341.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No