Information card for entry 2015952

Structure parameters

• Chemical name: Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^O:O')bis[(formato-κO)copper(II)]
• Formula: C12 H20 Cu2 N4 O12 S2
• Calculated formula: C12 H20 Cu2 N4 O12 S2
• SMILES: C1=[O][Cu]234(OC=O)OC=[O][Cu]4(O1)([O]=CO2)(OC=[O]3)OC=O.C1(=[NH+]CCS1)N.C1(=[NH+]CCS1)N
• Title of publication: Bis(2-amino-2-thiazolinium) tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-bis[(formato-κ<i>O</i>)copper(II)]
• Authors of publication: Sieroń, Lesław
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m199 - m200
• a: 6.5347 ± 0.0005 Å
• b: 7.517 ± 0.0008 Å
• c: 12.4428 ± 0.0005 Å
• α: 80.022 ± 0.006°
• β: 80.203 ± 0.005°
• γ: 67.25 ± 0.008°
• Cell volume: 551.54 ± 0.08 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0316
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes