Information card for entry 2236956

Structure parameters

• Chemical name: [(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)]
• Formula: C9 H18 Cu2 N7
• Calculated formula: C9 H18 Cu2 N7
• SMILES: [Cu](C#[N][Cu]123[NH2]CC[NH]1CC[NH]2CC[NH2]3)(C#N)C#N
• Title of publication: [(Triethylenetetramine)copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>-[bis(cyanido-κ<i>C</i>)copper(I)]
• Authors of publication: Corfield, Peter W. R.; Grillo, Scott A.; Umstott, Nancy S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1532 - m1533
• a: 7.363 ± 0.003 Å
• b: 8.741 ± 0.006 Å
• c: 11.492 ± 0.006 Å
• α: 77.84 ± 0.03°
• β: 73.78 ± 0.03°
• γ: 83.18 ± 0.03°
• Cell volume: 692.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes