Information card for entry 4342223

Structure parameters

• Formula: C25 H32 Cu N2 O5
• Calculated formula: C25 H32 Cu N2 O5
• SMILES: [Cu]12([n]3c(c4[n]2cccc4)cccc3)OC(=O)c2c(O1)c(cc(c2)C(C)C)C(C)C.CO.OC
• Title of publication: Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.
• Authors of publication: Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1293 - 1299
• a: 10.7914 ± 0.0005 Å
• b: 10.9401 ± 0.0004 Å
• c: 11.7748 ± 0.0005 Å
• α: 90.658 ± 0.003°
• β: 109.259 ± 0.004°
• γ: 113.692 ± 0.004°
• Cell volume: 1184.93 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No