Information card for entry 2102513

Structure parameters

• Chemical name: N-(3-Aminpropyl)-N'-3-(anthracen-9-ylmethyl)aminpropylethane-1,2-diamin)- chloro-copper chloride monhydrate
• Formula: C23 H34 Cl2 Cu N4 O
• Calculated formula: C23 H34 Cl2 Cu N4 O
• SMILES: [Cu]123(Cl)[NH2]CCC[NH]1CC[NH]2CCC[NH]3Cc1c2ccccc2cc2ccccc12.[Cl-].O
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 18.63 ± 0.0018 Å
• b: 16.61 ± 0.002 Å
• c: 16.972 ± 0.003 Å
• α: 90°
• β: 108.02 ± 0.009°
• γ: 90°
• Cell volume: 4994.3 ± 1.2 ų
• Cell temperature: 0 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No