Information card for entry 7005488

Structure parameters

• Common name: catena-(bis((mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide))cadmium(ii)) bis(mu-tiocyanate)
• Chemical name: catena-{bis([mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide])cadmium(II)} bis(mu-tiocyanate)
• Formula: C12 H14 Cd N6 S2 Se
• Calculated formula: C12 H14 Cd N6 S2 Se
• 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: 10.944 ± 0.002 Å
• b: 13.516 ± 0.003 Å
• c: 23.043 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3408.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No