Information card for entry 2015779

Structure parameters

• Chemical name: [(Acetato-κ^2^O,O')(di-2-pyridylamine-κ^2^N^2^,N^2'^)copper(II)]-μ-acetato- κ^2^O:O'-[(acetato-κO)(di-2-pyridylamine-κ^2^N^2^,N^2'^)(isothiocyanato- κN)copper(II)]
• Formula: C27 H27 Cu2 N7 O6 S
• Calculated formula: C27 H27 Cu2 N7 O6 S
• SMILES: [Cu]1(OC(=O)C)(OC(=[O][Cu]23(OC(=[O]2)C)[n]2ccccc2Nc2[n]3cccc2)C)([n]2ccccc2Nc2[n]1cccc2)N=C=S
• Title of publication: μ-Acetato-1:2κ^2^<i>O</i>:<i>O</i>'-diacetato-1κ^2^<i>O</i>,<i>O</i>';2κ<i>O</i>-bis(di-2-pyridylamine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-isothiocyanato-2κ<i>N</i>-dicopper(II)
• Authors of publication: Youngme, Sujittra; Chotkhun, Thidarat; Chaichit, Narongsak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m59 - m61
• a: 9.6949 ± 0.0002 Å
• b: 10.4915 ± 0.0002 Å
• c: 16.9001 ± 0.0002 Å
• α: 97.645 ± 0.001°
• β: 101.458 ± 0.001°
• γ: 113.215 ± 0.001°
• Cell volume: 1505.09 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes