Information card for entry 8100462

Structure parameters

• Formula: C16 H28 Cu F2 N2 O9 S
• Calculated formula: C16 H28 Cu F2 N2 O9 S
• SMILES: [Cu]1([NH](Cc2ccc(F)cc2)CC[NH]1Cc1ccc(F)cc1)(OS(=O)(=O)[O-])([OH2])([OH2])[OH2].O.O
• Title of publication: Crystal structure of triaquasulfato-2,3-diaza-1,6-di(4-fluorobenzyl) hexanecopper(II) dihydrate, Cu(C~16~H~18~N~2~F~2~)(H~2~O)~3~(SO~4~) · 2H~2~O
• Authors of publication: Zhu, Hai-Liang; Qiu, Xiao-Yang; Yang, Song; Ma, Ji-Long; Sun, Lin; Shao, Si-Chang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 523 - 524
• a: 15.169 ± 0.008 Å
• b: 12.614 ± 0.006 Å
• c: 11.387 ± 0.006 Å
• α: 90°
• β: 94.651 ± 0.007°
• γ: 90°
• Cell volume: 2171.6 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No