Information card for entry 7246931

Structure parameters

• Formula: C28 H16 Mn N4 O4
• Calculated formula: C28 H16 Mn N4 O4
• Title of publication: From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties
• Authors of publication: Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 31
• Pages of publication: 4435 - 4444
• a: 11.4539 ± 0.0013 Å
• b: 25.379 ± 0.002 Å
• c: 10.1811 ± 0.0007 Å
• α: 90°
• β: 99.143 ± 0.009°
• γ: 90°
• Cell volume: 2921.9 ± 0.5 ų
• Cell temperature: 104 ± 6 K
• Ambient diffraction temperature: 104 ± 6 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: 0.1517
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No