Information card for entry 7247331

Structure parameters

• Formula: C64 H93 Mn6 N24 O32.5 S8
• Calculated formula: C64 H93 Mn6 N24 O32.5 S8
• Title of publication: Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties
• Authors of publication: Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 39
• Pages of publication: 5524 - 5532
• a: 10.6758 ± 0.0013 Å
• b: 12.4221 ± 0.0015 Å
• c: 19.041 ± 0.002 Å
• α: 82.315 ± 0.001°
• β: 79.293 ± 0.002°
• γ: 72.475 ± 0.001°
• Cell volume: 2357.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No