Information card for entry 7009118

Structure parameters

• Formula: C12 H16 Cu N6 O6
• Calculated formula: C12 H16 Cu N6 O6
• SMILES: [Cu]12(ON(=[O]1)=O)(ON(=[O]2)=O)([n]1c(n(cc1)C=C)C)[n]1c(n(cc1)C=C)C
• Title of publication: Complexes of some transition metal ions with 2-methyl-1-vinylimidazole in aqueous solution and the solid state
• Authors of publication: Kurdziel, Krystyna; Głowiak, Tadeusz; Jezierska, Julia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1095
• a: 7.261 ± 0.001 Å
• b: 7.931 ± 0.002 Å
• c: 14.743 ± 0.003 Å
• α: 103.78 ± 0.03°
• β: 95.39 ± 0.03°
• γ: 94.78 ± 0.03°
• Cell volume: 816 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0322
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No