Information card for entry 4060722

Structure parameters

• Formula: C80 H100 N12 O6.5 Sm2
• Calculated formula: C80 H100 N12 O6.5 Sm2
• 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: 12.7933 ± 0.0009 Å
• b: 16.9239 ± 0.0012 Å
• c: 18.968 ± 0.0014 Å
• α: 80.745 ± 0.001°
• β: 72.236 ± 0.001°
• γ: 88.919 ± 0.001°
• Cell volume: 3858.1 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No