Information card for entry 4518100

Structure parameters

• Chemical name: complex between (E)-di-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yldiazene and 2,7-bis(3-ammoniopropyl)benzo[lmn][3,8]phenanthrolinediium tetraperchlorate, acetonitrile and benzene solvate
• Formula: C57 H78 Cl4 N7 O28
• Calculated formula: C57 H78 Cl4 N7 O28
• Title of publication: Highly Stable Supramolecular Donor‒Acceptor Complexes Involving a Bis(18-Crown-6)azobenzene as Weak Donor: Structure‒Property Relationships
• Authors of publication: Ushakov, Evgeny N.; Martyanov, Timofey P.; Vedernikov, Artem I.; Efremova, Asya A.; Moiseeva, Anna A.; Kuz’mina, Lyudmila G.; Dmitrieva, Svetlana N.; Howard, Judith A. K.; Gromov, Sergey P.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 12.5838 ± 0.0003 Å
• b: 16.0616 ± 0.0004 Å
• c: 17.8292 ± 0.0005 Å
• α: 71.082 ± 0.001°
• β: 79.353 ± 0.001°
• γ: 80.748 ± 0.001°
• Cell volume: 3330.45 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1906
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.3279
• Weighted residual factors for all reflections included in the refinement: 0.3653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No