Information card for entry 7200386

Structure parameters

• Common name: [Cu(cdm)2(NH2(CH2)3NH2)2]
• Chemical name: [Cu(cdm)2(NH2(CH2)3NH2)2]
• Formula: C14 H24 Cu N10 O2
• Calculated formula: C14 H24 Cu N10 O2
• SMILES: C(C#N)(C#N)=C([O-])N.C1C[NH2][Cu]2([NH2]C1)[NH2]CCC[NH2]2.C(C#N)(C#N)=C([O-])N
• Title of publication: Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors
• Authors of publication: Turner, David R.; Pek, Sze Nee; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 87
• a: 17.8128 ± 0.0012 Å
• b: 28.874 ± 0.003 Å
• c: 7.1606 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3682.9 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No