Information card for entry 7005486

Structure parameters

• Common name: (monoaqua-catena-((bis(mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide)) copper(ii))) dibromide monohydrate
• Chemical name: [monoaqua-catena-{(bis[mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide]) copper(II)}] dibromide monohydrate
• Formula: C20 H30 Br2 Cu N8 O2 Se2
• Calculated formula: C20 H30 Br2 Cu N8 O2 Se2
• 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: 11.427 ± 0.004 Å
• b: 13.537 ± 0.004 Å
• c: 18.835 ± 0.004 Å
• α: 90°
• β: 93.16 ± 0.03°
• γ: 90°
• Cell volume: 2909.1 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No