Information card for entry 4309132

Structure parameters

• Formula: C24 H36 Cl2 Fe N18 O8
• Calculated formula: C24 H36 Cl2 Fe N18 O8
• Title of publication: 1,4-Di(1,2,3-triazol-1-yl)butane as Building Block for the Preparation of the Iron(II) Spin-Crossover 2D Coordination Polymer
• Authors of publication: Robert Bronisz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4463 - 4465
• a: 11.719 ± 0.0009 Å
• b: 11.719 ± 0.0009 Å
• c: 7.8041 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 928.19 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No