Information card for entry 1507766

Structure parameters

• Formula: C6 H20 Cl4 N4
• Calculated formula: C6 H20 Cl4 N4
• SMILES: C([NH3+])C(=C(C[NH3+])C[NH3+])C[NH3+].[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: A new 1D hybrid fluoroaluminate templated by an original tetramine
• Authors of publication: Adil, K; Le Bail, A; Dujardin, G; Maisonneuve, V
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 2493 - 2497
• a: 11.651 ± 0.003 Å
• b: 8.159 ± 0.002 Å
• c: 6.8473 ± 0.0014 Å
• α: 90°
• β: 101.53 ± 0.03°
• γ: 90°
• Cell volume: 637.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No