Information card for entry 7222472

Structure parameters

• Formula: C14 H9 Mn N O7
• Calculated formula: C14 H9 Mn N O7
• Title of publication: A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties
• Authors of publication: Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.5661 ± 0.001 Å
• b: 25.0223 ± 0.0017 Å
• c: 7.4491 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2715 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No