Information card for entry 2006218

Structure parameters

• Formula: C16 H22 Cl5 Cu N3
• Calculated formula: C16 H22 Cl5 Cu N3
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].Clc1ccc(CN(c2[nH+]cccc2)CC[NH+](C)C)cc1
• Title of publication: Chloropyramine Tetrachlorocuprate(II)
• Authors of publication: Parvez, Masood; Sabir, Aaliya P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 678 - 679
• a: 14.355 ± 0.002 Å
• b: 7.836 ± 0.002 Å
• c: 20.353 ± 0.002 Å
• α: 90°
• β: 106.74 ± 0.01°
• γ: 90°
• Cell volume: 2192.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.255
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.212
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for all reflections: 0.933
• Goodness-of-fit parameter for significantly intense reflections: 0.907
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No