Information card for entry 7209600

Structure parameters

• Formula: C11 H7 Mn N3 O5
• Calculated formula: C11 H7 Mn N3 O5
• Title of publication: Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties
• Authors of publication: Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4107
• a: 11.4084 ± 0.0016 Å
• b: 11.115 ± 0.0016 Å
• c: 8.8184 ± 0.0012 Å
• α: 90°
• β: 92.036 ± 0.002°
• γ: 90°
• Cell volume: 1117.5 ± 0.3 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: 0.0569
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No