Information card for entry 7017666

Structure parameters

• Formula: C4 H12 Cu N8
• Calculated formula: C4 H12 Cu N8
• SMILES: C1C[NH](C)[Cu](N=N#N)([NH]1C)N=N#N
• Title of publication: Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies.
• Authors of publication: Mukherjee, Sandip; Patil, Yogesh P.; Mukherjee, Partha Sarathi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 54 - 64
• a: 35.781 ± 0.005 Å
• b: 9.4505 ± 0.0013 Å
• c: 15.367 ± 0.002 Å
• α: 90°
• β: 109.974 ± 0.003°
• γ: 90°
• Cell volume: 4883.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No