Information card for entry 8100448

Structure parameters

• Formula: C32 H39 Cu F2 N3 O7
• Calculated formula: C32 H39 Cu F2 N3 O7
• SMILES: [Cu]12([NH](Cc3c(F)cccc3)CC[NH]1CC[NH]2Cc1c(F)cccc1)(OC(=O)c1ccccc1)[OH2].O=C([O-])c1ccccc1.O.O
• Title of publication: Crystal structure of monoaquabenzoato-2,5,8-triaza-1,9-di(2-fluorobenzyl)- nonanecopper(II) benzoate dihydrate, Cu(C~25~H~30~F~2~N~3~O~3~)(C~7~H~5~O~2~) · 2H~2~O
• Authors of publication: Zhu, Hai-Liang; Shao, Si-Chang; Ma, Ji-Long; Qiu, Xiao-Yang; Yang, Song; Sun, Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 503 - 505
• a: 7.331 ± 0.003 Å
• b: 8.983 ± 0.003 Å
• c: 26.335 ± 0.01 Å
• α: 95.57 ± 0.006°
• β: 95.797 ± 0.006°
• γ: 110.811 ± 0.005°
• Cell volume: 1596.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No