Information card for entry 7005489

Structure parameters

• Common name: catena-(bis((mu-cis-bis(3,5-dimethyl-1H- pyrazolyl)selenide))cadmium(ii)) bis(tricyanocadmate(ii)) methanol solvate
• Chemical name: catena-{bis([mu-cis-bis(3,5-dimethyl-1H-pyrazolyl)selenide])cadmium(II)} bis(tricyanocadmate(II)) methanol solvate
• Formula: C27 H32 Cd3 N14 O Se2
• Calculated formula: C26 H28 Cd2.996 N14 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: 9.695 ± 0.0002 Å
• b: 9.9608 ± 0.0003 Å
• c: 12.4645 ± 0.0003 Å
• α: 76.013 ± 0.001°
• β: 86.852 ± 0.002°
• γ: 61.82 ± 0.002°
• Cell volume: 1027.09 ± 0.05 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: 0.0395
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No