Information card for entry 4346249

Structure parameters

• Formula: C10 H6 Cu N12
• Calculated formula: C10 H6 Cu N12
• Title of publication: Mn(II)- and Co(II)-Catalyzed Transformation of 2-Cyanopyrimidine to Methylimidate by Sodium Azide: Isolation, Structural Characterization, and Magnetic Studies on 2D Mn(II)- and Cu(II)-Complexes.
• Authors of publication: Dolai, Malay; Biswas, Surajit; Escuer, Albert; Ali, Mahammad
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7030 - 7037
• a: 8.2412 ± 0.0009 Å
• b: 9.5237 ± 0.0011 Å
• c: 17.8 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1397.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No