Information card for entry 7100663

Structure parameters

• Formula: C96 H72 F12 Fe N6 O6 P2
• Calculated formula: C96 H72 F12 Fe N6 O6 P2
• SMILES: [Fe]123([n]4cc5c(c6ccc(OC)cc6)cccc5cc4c4[n]1cc1c(c4)cccc1c1ccc(OC)cc1)([n]1cc4c(c5ccc(OC)cc5)cccc4cc1c1[n]2cc2c(c1)cccc2c1ccc(OC)cc1)[n]1cc2c(c4ccc(OC)cc4)cccc2cc1c1[n]3cc2c(c1)cccc2c1ccc(OC)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Sterically non Hindering Endocyclic Ligands of the Bi-isoquinoline Family
• Authors of publication: J. Sauvage; Fabien Durola; Oliver S. Wenger
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 15.418 ± 0.0003 Å
• b: 34.415 ± 0.0006 Å
• c: 17.012 ± 0.0004 Å
• α: 90°
• β: 116.362 ± 0.0008°
• γ: 90°
• Cell volume: 8088 ± 0.3 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