Crystallography Open Database
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Result: there are 31 entries in the selection
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Searching journal of publication like 'The Journal of Physical Chemistry B' volume of publication is 108
COD ID ![]() |
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Cell parameters | Cell volume ![]() |
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1506830 | CIF | C S2 | C m c a | 5.8154; 5.215; 8.0463 90; 90; 90 | 244 | Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B, 2004, 108, 19089 |
1506829 | CIF | C S2 | C m c a | 6.0381; 5.351; 8.359 90; 90; 90 | 270.1 | Dziubek, Kamil F.; Katrusiak, Andrzej Compression of Intermolecular Interactions in CS2Crystal The Journal of Physical Chemistry B, 2004, 108, 19089 |
1506823 | CIF | C8 F4 N2 | P 21 21 21 | 5.655; 10.644; 12.35 90; 90; 90 | 743.37 | Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B. Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile The Journal of Physical Chemistry B, 2004, 108, 3663 |
1506832 | CIF | C6 H16 N12 O7 P2 | P -1 | 10.8932; 11.2079; 6.8424 104.969; 101.473; 83.805 | 789.501 | Brodski, Vladimir; Peschar, René; Schenk, Henk; Brinkmann, Andreas; van Eck, Ernst R. H.; Kentgens, Arno P. M.; Coussens, Betty; Braam, Ad Structure of Melaminium Dihydrogenpyrophosphate and Its Formation from Melaminium Dihydrogenphosphate Studied with Powder Diffraction Data, Solid-State NMR, and Theoretical Calculations The Journal of Physical Chemistry B, 2004, 108, 15069 |
1506845 | CIF | C22 H24 N2 | P 1 21/n 1 | 8.062; 14.302; 7.977 90; 103.46; 90 | 894.5 | Nishiumi, Toyohiko; Nomura, Yasuhiro; Chimoto, Yuya; Higuchi, Masayoshi; Yamamoto, Kimihisa The Class II/III Transition Electron Transfer on an Infrared Vibrational Time Scale forN,N‘-Diphenyl-1,4-phenylenediamine Structures The Journal of Physical Chemistry B, 2004, 108, 7992 |
1506817 | CIF | C10 H8 N4 S | P 1 21 1 | 6.894; 12.355; 13.064 90; 102.27; 90 | 1087.3 | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B, 2004, 108, 8531 |
1506819 | CIF | C13 H9 N5 | P n a 21 | 10.208; 22.983; 5.041 90; 90; 90 | 1182.7 | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B, 2004, 108, 8531 |
1506844 | CIF | C30 H26 O4 | P 1 21/c 1 | 13.2938; 7.32; 12.7067 90; 103.61; 90 | 1201.8 | Zhang, Haiquan; Yang, Bing; Zheng, Yan; Yang, Guangdi; Ye, Ling; Ma, Yuguang; Chen, Xinfang; Cheng, Gang; Liu, Shiyong New Biphenyl Derivative with Planar Phenyl−Phenyl Conformation in Crystal at Room Temperature Exhibits Highly Efficient UV Light-Emitting The Journal of Physical Chemistry B, 2004, 108, 9571 |
1506846 | CIF | C56 H76 P2 Pt | P -1 | 10.0075; 10.7197; 12.8122 101.67; 109.882; 95.533 | 1245.28 | Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S. Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides The Journal of Physical Chemistry B, 2004, 108, 4969 |
1506816 | CIF | C12 H11 N5 S | P 1 21/c 1 | 6.631; 28.084; 7.325 90; 90.12; 90 | 1364.1 | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B, 2004, 108, 8531 |
1506820 | CIF | C19 H15 N5 | P 1 21/c 1 | 8.437; 11.525; 16.874 90; 101.16; 90 | 1609.7 | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B, 2004, 108, 8531 |
1506805 | CIF | C18 H19 N O4 | P 1 21/c 1 | 9.0694; 22.47; 8.1591 90; 97.872; 90 | 1647.1 | Grabowski, SÅ‚awomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B, 2004, 108, 1831 |
1506806 | CIF | C19 H21 N O4 | P 1 21/c 1 | 8.9277; 23.583; 8.1672 90; 98.186; 90 | 1702.02 | Grabowski, SÅ‚awomir J.; Pfitzner, Arno; Zabel, Manfred; Dubis, Alina T.; Palusiak, Marcin Intramolecular H···H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives The Journal of Physical Chemistry B, 2004, 108, 1831 |
1506831 | CIF | C18 H22 N5 O3 | P -1 | 6.978; 14.5287; 20.0342 78.023; 75.2; 78 | 1895 | Shiomi, Daisuke; Nozaki, Mikito; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Cytosine-Substituted Nitronylnitroxide Radical: A Key Component for Bio-Inspired Molecule-Based Magnetics The Journal of Physical Chemistry B, 2004, 108, 16606 |
1506815 | CIF | C10 H8 N4 S | P 1 21/c 1 | 7.252; 22.588; 13.668 90; 103.53; 90 | 2176.8 | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Moore, Craig E.; Cardelino, Beatriz H.; Timofeeva, Tatiana V. Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials† The Journal of Physical Chemistry B, 2004, 108, 8531 |
1506812 | CIF | C43 H50 Cl2 N12 Ni O8 | P -1 | 12.795; 13.686; 15.496 107.75; 104.22; 106.73 | 2303.7 | Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B, 2004, 108, 2173 |
1506839 | CIF | C22 H24 F9 N O S | P 1 21/a 1 | 18.849; 5.5418; 22.618 90; 96.956; 90 | 2345.2 | Smith, Jeremy A.; DiStasio, Robert A.; Hannah, Nicole A.; Winter, Rolf W.; Weakley, Timothy J. R.; Gard, Gary L.; Rananavare, Shankar B. SF5-Terminated Fluorinated Schiff Base Liquid Crystals The Journal of Physical Chemistry B, 2004, 108, 19940 |
1506810 | CIF | C46 H54 N14 Ni O8 | P -1 | 13.181; 13.563; 14.545 91.87; 96.19; 110.94 | 2407.3 | Barkigia, Kathleen M.; Renner, Mark W.; Senge, Mathias O.; Fajer, Jack Interplay of Axial Ligation, Hydrogen Bonding, Self-Assembly, and Conformational Landscapes in High-Spin Ni(II) Porphyrins The Journal of Physical Chemistry B, 2004, 108, 2173 |
1506828 | CIF | C33 H28 B N O2 | P 1 21/n 1 | 10.4104; 9.5076; 26.2207 90; 95.623; 90 | 2582.8 | Yu, Jen-Kan; Cheng, Yi-Ming; Hu, Ya-Hui; Chou, Pi-Tai; Chen, Yao-Lun; Lee, Shin-Wun; Chi, Yun Probing Triplet State Properties of Organic Chromophores via Design and Synthesis of Os(II)-Diketonate Complexes: The Triplet State Intramolecular Charge Transfer The Journal of Physical Chemistry B, 2004, 108, 19908 |
1506825 | CIF | C61 H66 Cl3 N8 O6 Tb | P -1 | 12.8867; 13.9288; 19.09 69.13; 77.076; 65.411 | 2899.9 | Xin, Hao; Shi, Mei; Gao, Xi Cun; Huang, Yan Yi; Gong, Ze Liang; Nie, Dao Bo; Cao, Hong; Bian, Zu Qiang; Li, Fu You; Huang, Chun Hui The Effect of Different Neutral Ligands on Photoluminescence and Electroluminescence Properties of Ternary Terbium Complexes The Journal of Physical Chemistry B, 2004, 108, 10796 |
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