Information card for entry 2012938

Structure parameters

• Chemical name: Tetrakis(μ-guanidinoacetic acid-κ^2^O:O')bis[(nitrato-κ^2^O)copper(II)]
• Formula: C12 H28 Cu2 N16 O20
• Calculated formula: C12 H28 Cu2 N16 O20
• SMILES: C1(CNC(=[NH2+])N)=[O][Cu]234(ON(=O)=O)OC(CNC(=[NH2+])N)=[O][Cu]4(O1)([O]=C(CNC(=[NH2+])N)O3)(OC(CNC(=[NH2+])N)=[O]2)ON(=O)=O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)]
• Authors of publication: Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m471 - m474
• a: 7.2535 ± 0.0008 Å
• b: 10.3652 ± 0.0012 Å
• c: 10.5626 ± 0.0012 Å
• α: 99.262 ± 0.002°
• β: 94.862 ± 0.002°
• γ: 105.844 ± 0.002°
• Cell volume: 747.05 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes