Information card for entry 2004844

Structure parameters

• Chemical name: tetrahydrogen 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane tetrachlorocad mate'
• Formula: C14 H36 Cd2 Cl8 N6
• Calculated formula: C14 H36 Cd2 Cl8 N6
• SMILES: C1C[NH2+]CC[NH2+]CCN1CCN1CC[NH2+]CC[NH2+]CC1.[Cd](Cl)(Cl)([Cl-])[Cl-].[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate
• Authors of publication: Zompa, L. J.; Haidar, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1188 - 1190
• a: 8.366 ± 0.002 Å
• b: 9.43 ± 0.002 Å
• c: 9.642 ± 0.002 Å
• α: 93.62 ± 0.03°
• β: 103.22 ± 0.03°
• γ: 91.24 ± 0.03°
• Cell volume: 738.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.1291
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No