Information card for entry 7201457

Structure parameters

• Formula: C9 H21 Cu2 N9 O8
• Calculated formula: C9 H21 Cu2 N9 O8
• SMILES: C12(CC(=O)O[Cu]3([NH]=C(N)N)[O]1[Cu]([OH]3)([NH]=C(N)N)OC(=O)C2)C(=O)[O-].C(=[NH2+])(N)N
• Title of publication: Polymerisation of a Cu(II) dimer into 1D chains using high pressure
• Authors of publication: Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2601
• a: 15.679 ± 0.004 Å
• b: 12.699 ± 0.003 Å
• c: 8.932 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.4 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No