Information card for entry 2200382

Structure parameters

• Chemical name: μ-oxalato-bis[(isocyanato-N)(tetramethylethylenediamine)copper(II)]
• Formula: C16 H32 Cu2 N6 O6
• Calculated formula: C16 H32 Cu2 N6 O6
• SMILES: C1C[N]([Cu]2([N]1(C)C)(N=C=O)[O]=C1C(=[O][Cu]3([N](CC[N]3(C)C)(C)C)(N=C=O)O1)O2)(C)C
• Title of publication: An oxalato-bridged copper(II) complex
• Authors of publication: Jack Cheng; Fen-Ling Liao; Tian-Huey Lu; Partha S. Mukherjee; Tapas K.Maji; N. Ray Chaudhuri
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m263 - m264
• a: 7.4943 ± 0.0009 Å
• b: 14.566 ± 0.0017 Å
• c: 10.8812 ± 0.0013 Å
• α: 90°
• β: 105.655 ± 0.002°
• γ: 90°
• Cell volume: 1143.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes