Information card for entry 4312111

Structure parameters

• Formula: C15 H26 Cl2 Fe N6
• Calculated formula: C15 H26 Cl2 Fe N6
• SMILES: [Fe]1(Cl)(Cl)[N]2=C3N(CCCN3CCC2)CN2C3=[N]1CCCN3CCC2
• Title of publication: Multiple Coordination Geometries Supported by Methylene-Linked Guanidines
• Authors of publication: Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7564 - 7566
• a: 9.4021 ± 0.0003 Å
• b: 8.2761 ± 0.0003 Å
• c: 12.2393 ± 0.0004 Å
• α: 90°
• β: 108.886 ± 0.002°
• γ: 90°
• Cell volume: 901.1 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.628
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No