Information card for entry 7107803

Structure parameters

• Chemical name: (3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline)diiododicopper(I), Solvate with Acetonitrile and Chloroform
• Formula: C23 H22 Cl3 Cu2 I2 N5
• Calculated formula: C21 H19 Cl3 Cu2 I2 N4
• Title of publication: Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers
• Authors of publication: Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5847
• a: 22.3792 ± 0.0002 Å
• b: 22.3792 ± 0.0002 Å
• c: 13.1261 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6573.93 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No