Information card for entry 4340578

Structure parameters

• Formula: C42 H67 Fe2 Li6 N24 O27.5
• Calculated formula: C42 H67 Fe2 Li6 N24 O27.5
• Title of publication: New Class of Scorpionate: Tris(tetrazolyl)-Iron Complex and Its Different Coordination Modes for Alkali Metal Ions.
• Authors of publication: Park, Ka Hyun; Lee, Kang Mun; Go, Min Jeong; Choi, Sung Ho; Park, Hyoung-Ryun; Kim, Youngjo; Lee, Junseong
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8213 - 8220
• a: 12.222 ± 0.002 Å
• b: 15.673 ± 0.003 Å
• c: 19.408 ± 0.004 Å
• α: 67.71 ± 0.03°
• β: 77.73 ± 0.03°
• γ: 87.6 ± 0.03°
• Cell volume: 3358.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No