Crystallography Open Database
Search results
Result: there are 115 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 C' volume of publication is 117
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1512147 | CIF | Br38.27 H344 O172 | P 42/m n m | 23.0436; 23.0436; 12.0745 90; 90; 90 | 6411.7 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
| 1512134 | CIF | Br6.06 Cl8.31 H92 O46 | P m -3 n | 11.9619; 11.9619; 11.9619 90; 90; 90 | 1711.59 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
| 1511790 | CIF | C10 H20 B F2 Li O8 | C 1 2/c 1 | 25.731; 8.467; 16.921 90; 118.327; 90 | 3245 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1513088 | CIF | C10 H4 N4 S4 | P 1 21/c 1 | 5.8139; 5.8101; 17.366 90; 101.604; 90 | 574.6 | Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles The Journal of Physical Chemistry C, 2013, 117, 25325 |
| 1511796 | CIF | C10 H6 O2 S2 | P 1 21/c 1 | 7.2737; 4.7577; 13.719 90; 96.938; 90 | 471.28 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1511792 | CIF | C11 H23 B F2 Li N3 O4 | P 1 21/c 1 | 13.626; 8.717; 18.413 90; 130.986; 90 | 1650.9 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1512132 | CIF | C12 H13 N O2 | P 1 21/c 1 | 13.786; 5.596; 15.675 90; 122.93; 90 | 1015 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1512135 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8226; 8.471; 31.554 90; 90; 90 | 1021.8 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512136 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8268; 14.7465; 17.3489 90; 90; 90 | 979.03 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1511800 | CIF | C12 H7 O P S3 | P 1 21/c 1 | 10.076; 8.291; 14.934 90; 99.516; 90 | 1230.42 | Ren, Yi; Biegger, Felix; Baumgartner, Thomas Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes The Journal of Physical Chemistry C, 2013, 117, 4748 |
| 1511788 | CIF | C13 H18 B2 F4 Li2 O17 | P 1 21/n 1 | 8.1606; 10.7284; 12.8309 90; 94.6107; 90 | 1119.71 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
| 1511795 | CIF | C14 H8 O2 S3 | P c a 21 | 27.724; 3.8968; 11.6473 90; 90; 90 | 1258.31 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1512137 | CIF | C15 H20 O S2 Si2 | P b c a | 6.9752; 21.458; 24.8 90; 90; 90 | 3711.9 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
| 1512130 | CIF | C16 H15 N O4 | P b c a | 7.707; 13.875; 23.418 90; 90; 90 | 2504.2 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1511797 | CIF | C16 H8 O4 S3 | P 1 21/c 1 | 17.4433; 7.3062; 11.3446 90; 92.185; 90 | 1444.75 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
| 1512133 | CIF | C17 H18 F3 N O2 | P 1 21/m 1 | 12.365; 7.358; 16.939 90; 95.378; 90 | 1534.4 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
| 1513089 | CIF | C17 H33 Er O10 | P 1 21/n 1 | 10.4187; 19.6076; 10.9402 90; 91.235; 90 | 2234.4 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
| 1512251 | CIF | C18 H10 N2 O4 | C 1 2/c 1 | 29.36; 3.8228; 24.968 90; 93.109; 90 | 2798.2 | Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S. Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State The Journal of Physical Chemistry C, 2013, 117, 18154 |
| 1556094 | CIF | C18 H22 N2 O5 | P 1 21 1 | 12.1112; 5.4213; 13.7691 90; 100.011; 90 | 890.29 | Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes The Journal of Physical Chemistry C, 2013, 117, 12136 |
| 1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!