Information card for entry 7200606

Structure parameters

• Formula: C44 H40 Cl2 Mn N16 O3
• Calculated formula: C44 H40 Cl2 Mn N16 O3
• Title of publication: Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand
• Authors of publication: Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1281
• a: 9.215 ± 0.002 Å
• b: 10.272 ± 0.002 Å
• c: 12.167 ± 0.003 Å
• α: 91.563 ± 0.003°
• β: 104.441 ± 0.003°
• γ: 90.913 ± 0.003°
• Cell volume: 1114.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No