Information card for entry 7005484

Structure parameters

• Common name: catena-((mu-trans-bis(3,5-dimethyl-1H-pyrazolyl)selenide)bis (thiocyanato)mercury(ii)) hexakix(bis)mercurate(ii)
• Chemical name: catena-{[mu-trans-bis(3,5-dimethyl-1H-pyrazolyl)selenide]bis [thiocyanato]mercury(II)} hexakix(bis)mercurate(II)
• Formula: C14 H14 Hg2 N8 S4 Se
• Calculated formula: C14 H14 Hg2 N8 S4 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: 9.3331 ± 0.0003 Å
• b: 10.4321 ± 0.0008 Å
• c: 12.819 ± 0.0009 Å
• α: 110.626 ± 0.006°
• β: 97.843 ± 0.003°
• γ: 91.907 ± 0.004°
• Cell volume: 1152.71 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No