Crystallography Open Database

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1514125 CIFC39 H48 Cl2 Fe P2P b c a13.4011; 21.5414; 48.6745
90; 90; 90		14051.3Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514126 CIFC38 H58 Fe P2P -111.9515; 12.1683; 14.2621
110.684; 97.566; 114.389		1670.91Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514127 CIFC14 H15 N3 O3P -110.16; 10.3036; 14.0553
99.674; 96.774; 97.811		1422Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.
New solvates of an old drug compound (phenobarbital): structure and stability.
The journal of physical chemistry. B, 2014, 118, 3267-3280
1514128 CIFC13 H15 N3 O5P -110.2543; 10.4086; 13.709
98.774; 96.171; 98.962		1415.5Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.
New solvates of an old drug compound (phenobarbital): structure and stability.
The journal of physical chemistry. B, 2014, 118, 3267-3280
1514129 CIFC13 H14 Cl2 N2 O3P 1 21/n 18.698; 11.9681; 14.259
90; 97.47; 90		1471.74Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K.
New solvates of an old drug compound (phenobarbital): structure and stability.
The journal of physical chemistry. B, 2014, 118, 3267-3280

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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.