Information card for entry 4346250

Structure parameters

• Formula: C6 H7 Mn N9 O
• Calculated formula: C6 H7 Mn N9 O
• 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: 11.0648 ± 0.0004 Å
• b: 9.6507 ± 0.0004 Å
• c: 10.4244 ± 0.0004 Å
• α: 90°
• β: 101.145 ± 0.002°
• γ: 90°
• Cell volume: 1092.16 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No