Information card for entry 7005485

Structure parameters

• Common name: catena-(bis(mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide) (mu-trans-bis(3,5-dimethyl-1H-pyrazolyl)selenide)tetrachlorocopper(ii)) methylsulfoxide solvate hydrate
• Chemical name: catena-{bis[mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide] [mu-trans-bis(3,5-dimethyl-1H-pyrazolyl)selenide]tetrachlorocopper(II)} methylsulfoxide solvate hydrate
• Formula: C19 H30.95 Cl2 Cu N6 O3.98 S2 Se1.5
• Calculated formula: C19 H27 Cl2 Cu N6 O3.965 S2 Se1.5
• Title of publication: Bis(3,5-dimethyl-1H-pyrazolyl)selenide‒a new bidentate bent connector for preparation of 1D and 2D co-ordination polymers.
• Authors of publication: Seredyuk, Maksym; Haukka, Matti; Fritsky, Igor O.; Kozłowski, Henryk; Krämer, Roland; Pavlenko, Vadim A.; Gütlich, Philipp
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 29
• Pages of publication: 3183 - 3194
• a: 16.043 ± 0.003 Å
• b: 12.451 ± 0.002 Å
• c: 30.597 ± 0.006 Å
• α: 90°
• β: 96.44 ± 0.03°
• γ: 90°
• Cell volume: 6073.2 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No