Information card for entry 2223434

Structure parameters

• Chemical name: 1:2κ^4^<i>N</i>^2^,<i>O</i>^3^: <i>N</i>^1^,<i>O</i>^5^)-μ-chlorido-tetrapyridine-1κ^2^<i>N</i>, 2κ^2^<i>N</i>-chlorido-1κ<i>Cl</i>-dicopper(II) propan-2-ol solvate
• Formula: C30 H34 Cl2 Cu2 N6 O4
• Calculated formula: C30 H34 Cl2 Cu2 N6 O4
• SMILES: [Cu]12(Cl)([Cl][Cu]3(OC(=O)c4[n]3n2c(C(=[O]1)C)c4C)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1.OC(C)C
• Title of publication: (μ-3-Acetyl-5-carboxylato-4-methylpyrazolido-1:2κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)-μ-chlorido-tetrapyridine-1κ^2^<i>N</i>,2κ^2^<i>N</i>-chlorido-1κ<i>Cl</i>-dicopper(II) propan-2-ol solvate
• Authors of publication: Malinkin, Sergey; Penkova, Larisa; Pavlenko, Vadim A.; Haukka, Matti; Fritsky, Igor O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1247 - m1248
• a: 16.413 ± 0.0004 Å
• b: 12.6351 ± 0.0002 Å
• c: 16.5739 ± 0.0004 Å
• α: 90°
• β: 107.215 ± 0.0012°
• γ: 90°
• Cell volume: 3283.12 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes