Information card for entry 2223703

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(II)-bis[μ-bis(3,5-dimethyl-1<i>H</i>- pyrazol-4-yl) selenide]] bis(perchlorate)]
• Formula: C20 H28 Cl2 Cu N8 O8 Se2
• Calculated formula: C20 H28 Cl2 Cu N8 O8 Se2
• SMILES: [Cu]1([n]2[nH]c(c([Se]c3c([n]([nH]c3C)[Cu][n]3[nH]c(c([Se]c4c([n]1[nH]c4C)C)c3C)C)C)c2C)C)([n]1[nH]c(c([Se]c2c(n[nH]c2C)C)c1C)C)[n]1[nH]c(c([Se]c2c(n[nH]c2C)C)c1C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[copper(II)-bis[μ-bis(3,5-dimethyl-1<i>H</i>-pyrazol-4-yl) selenide]] bis(perchlorate)]
• Authors of publication: Seredyuk, Maksym; Haukka, Matti; Pavlenko, Vadim A.; Fritsky, Igor O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1396
• a: 28.398 ± 0.006 Å
• b: 7.5865 ± 0.0015 Å
• c: 18.517 ± 0.004 Å
• α: 90°
• β: 130.69 ± 0.03°
• γ: 90°
• Cell volume: 3024.9 ± 1.7 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: 0.0659
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes