Information card for entry 4331477

Structure parameters

• Common name: CuCN1dMeOH
• Formula: C14 H28 Cu2 N7 O
• Calculated formula: C14 H28 Cu2 N7 O
• SMILES: [Cu]123([NH]4CC[NH]2CCC[NH]1CC[NH]3CCC4)[N]#C[Cu](C#N)C#N.OC
• Title of publication: Novel Examples of High-Dimensional Mixed-Valence Copper Cyanide Complexes
• Authors of publication: Kim, Do-hyeon; Koo, Ja-eung; Hong, Chang Seop; Oh, Sangjun; Do, Youngkyu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4383 - 4390
• a: 9.4699 ± 0.0011 Å
• b: 10.0338 ± 0.0012 Å
• c: 12.0635 ± 0.0014 Å
• α: 67.325 ± 0.002°
• β: 75.593 ± 0.002°
• γ: 70.672 ± 0.002°
• Cell volume: 988.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.1055
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No