Information card for entry 7107804

Structure parameters

• Chemical name: (3,4,4a,5,6,9,10,10a,11,12-decahydroanthra [1,9,8-cdef:5,10,4-cdef]dicinnoline)dichlorodicopper(I), Solvate with 4 Acetonitrile
• Formula: C28 H30 Cl2 Cu2 N8
• Calculated formula: C24 H24 Cl2 Cu2 N6
• 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: 15.9327 ± 0.0009 Å
• b: 15.9327 ± 0.0009 Å
• c: 12.4522 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3161 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No