Information card for entry 7005483

Structure parameters

• Common name: catena-((mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide)mercury(ii)) dichloride methylsulfoxide solvate
• Chemical name: catena-{[mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide]mercury(II)} dichloride methylsulfoxide solvate
• Formula: C12 H20 Cl2 Hg N4 O S Se
• Calculated formula: C12 H20 Cl2 Hg N4 O S 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: 21.0616 ± 0.0014 Å
• b: 10.2915 ± 0.0006 Å
• c: 8.7973 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No