Crystallography Open Database
Search results
Result: there are 485 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'The journal of physical chemistry. A'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 1502733 | CIF | C38.5 H38.75 F12 N3.25 O0.5 P2 | P -1 | 8.0652; 13.81; 20.684 106.539; 99.424; 96.092 | 2150.1 | Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A, 2010, 114, 12028-12041 |
| 1502736 | CIF | C24 H25 N O2 | P 21 21 21 | 6.1987; 16.054; 20.033 90; 90; 90 | 1993.6 | Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A, 2010, 114, 12522-12530 |
| 1502737 | CIF | C24 H25 N O3 | P 1 21 1 | 11.414; 8.499; 11.529 90; 115.28; 90 | 1011.3 | Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A, 2010, 114, 12522-12530 |
| 1502739 | CIF | C12 H4 Fe3 O11 | P 1 21/c 1 | 7.4672; 16.4731; 13.7414 90; 103.927; 90 | 1640.61 | Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A, 2010, 114, 13418-13433 |
| 1502740 | CIF | C12 H4 Fe3 O11 | P 1 21/c 1 | 7.4672; 16.4731; 13.7414 90; 103.927; 90 | 1640.61 | Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A, 2010, 114, 13418-13433 |
| 1502741 | CIF | C10 H8 Cl N O | P -1 | 7.088; 7.22; 9.14 92.55; 106.95; 110.32 | 414 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502742 | CIF | C5 H4 Cl N O | F d d 2 | 23.1021; 25.1758; 3.7363 90; 90; 90 | 2173.08 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502743 | CIF | C11 H9 Cl2 N | P 1 21/c 1 | 14.98; 4.5662; 14.858 90; 94.87; 90 | 1012.6 | Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A, 2010, 114, 13434-13441 |
| 1502744 | CIF | C20 H14 O | P 1 2/c 1 | 12.8954; 5.5486; 20.0322 90; 106.472; 90 | 1374.51 | Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran. The journal of physical chemistry. A, 2010, 114, 1457-1473 |
| 1502745 | CIF | C18 H14 N2 O4 | P 1 21/n 1 | 19.3408; 3.8902; 20.212 90; 90.594; 90 | 1520.7 | Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A, 2010, 114, 172-182 |
| 1502746 | CIF | C18 H14 N2 O4 | P -1 | 6.3063; 10.8492; 12.374 107.847; 98.976; 103.827 | 758.1 | Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A, 2010, 114, 172-182 |
| 1502760 | CIF | C47 H49 N3 | P b c a | 11.408; 25.189; 28.093 90; 90; 90 | 8073 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502761 | CIF | C61 H61 N3 | P -1 | 11.4828; 12.8037; 17.557 103.938; 103.837; 98.1698 | 2377.3 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1502762 | CIF | C61 H61 N3 O | P -1 | 13.967; 17.661; 20.091 95.541; 99.166; 96.727 | 4825 | Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A, 2010, 114, 884-890 |
| 1504353 | CIF | C32 H16 F18 N3 O6 Sm | P -1 | 11.5889; 17.5357; 18.8203 79.3974; 84.1179; 88.0187 | 3739.08 | Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A, 2008, 112, 803-807 |
| 1504354 | CIF | C41 H22 F18 N5 O6 Sm | P 1 21/n 1 | 11.69; 19.656; 20.63 90; 93.412; 90 | 4731.9 | Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A, 2008, 112, 803-807 |
| 1504356 | CIF | C15 H22 N2 | P 1 21 1 | 7.815; 22.2685; 8.2607 90; 102.73; 90 | 1402.26 | Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A. Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile. The journal of physical chemistry. A, 2008, 112, 2749-2761 |
| 1504358 | CIF | C8 H18 F6 O6 P2 S2 | R -3 m :H | 9.1795; 9.1795; 17.7956 90; 90; 120 | 1298.62 | Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication. The journal of physical chemistry. A, 2008, 112, 3424-3431 |
| 1504359 | CIF | C28 H24 Cl2 N2 Pt | P 1 21/c 1 | 16.2361; 9.511; 17.9203 90; 114.692; 90 | 2514.26 | Shao, Pin; Li, Yunjing; Sun, Wenfang Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response. The journal of physical chemistry. A, 2008, 112, 1172-1179 |
| 1504360 | CIF | C11 H10 Fe O | P 21 21 21 | 7.639; 10.518; 11.3 90; 90; 90 | 907.9 | Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A, 2008, 112, 2977-2987 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

