Crystallography Open Database
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Searching journal of publication like 'The Journal of Physical Chemistry A'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1506807 | CIF | C8 H20 Cl Li O8 | C 1 2/c 1 | 13.147; 8.9501; 12.378 90; 108.09; 90 | 1384.5 | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. LiClO4Electrolyte Solvate Structures The Journal of Physical Chemistry A, 2004, 108, 225 |
1506808 | CIF | C12 H28 Cl Li O10 | P c c n | 31.229; 12.075; 15.127 90; 90; 90 | 5704.2 | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. LiClO4Electrolyte Solvate Structures The Journal of Physical Chemistry A, 2004, 108, 225 |
1506814 | CIF | C3 H5 Cl2 N O | P n m a | 9.4889; 8.3221; 7.718 90; 90; 90 | 609.47 | Hinchley, Sarah L.; Robertson, Heather E.; McLachlan, Lorna J.; Morrison, Carole A.; Rankin, David W. H.; Simpson, Stephen J.; Thomas, Emrys W. Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide The Journal of Physical Chemistry A, 2004, 108, 185 |
1506827 | CIF | C9 H10 N O3 | P 1 21/c 1 | 8.8436; 5.3476; 18.839 90; 99.62; 90 | 878.4 | Jian, Fang F.; Zhao, Pu S.; Yu, Qing; Wang, Qing X.; Jiao, Kui Density Functional Calculations, Synthesis, and Characterization on Two Novel Quadruple Hydrogen-Bonded Supramolecular Complexes The Journal of Physical Chemistry A, 2004, 108, 5258 |
1506833 | CIF | C8 H8 N2 O10 | P -1 | 5.4385; 6.3885; 8.6809 98.381; 107.406; 105.573 | 268.72 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1506834 | CIF | C8 H8 N2 O10 | P -1 | 5.4606; 6.4133; 8.7164 98.962; 107.408; 105.348 | 271.57 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1506835 | CIF | C8 H8 N2 O10 | P -1 | 5.4361; 6.3699; 8.6672 97.911; 107.546; 105.718 | 267.48 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1506836 | CIF | C8 H8 N2 O10 | P -1 | 5.495; 6.441; 8.767 99.393; 107.565; 105.174 | 275.44 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1506837 | CIF | C6 H8 N2 O6 | C 1 2/c 1 | 5.347; 13.0286; 11.7443 90; 99.036; 90 | 808 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1506838 | CIF | C7 H8 N2 O8 | P -1 | 5.283; 6.6497; 13.8423 93.064; 90.513; 103.009 | 473.02 | Vishweshwar, Peddy; Jagadeesh Babu, N.; Nangia, Ashwini; Mason, Sax A.; Puschmann, Horst; Mondal, Raju; Howard, Judith A. K. Variable Temperature Neutron Diffraction Analysis of a Very Short O−H···O Hydrogen Bond in 2,3,5,6-Pyrazinetetracarboxylic Acid Dihydrate: Synthon-Assisted Short Oacid−H···OwaterHydrogen Bonds in a Multicenter Array The Journal of Physical Chemistry A, 2004, 108, 9406 |
1507225 | CIF | C15 H10 O | C 1 2/c 1 | 28.0503; 8.5232; 22.6161 90; 124.742; 90 | 4443.1 | Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E. Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol The Journal of Physical Chemistry A, 2003, 107, 11201 |
1507226 | CIF | C15 H10 O | C 1 2/c 1 | 28.0503; 8.5232; 22.6161 90; 124.742; 90 | 4443.1 | Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E. Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol The Journal of Physical Chemistry A, 2003, 107, 11201 |
1507227 | CIF | C15 H10 O | C 1 2/c 1 | 28.0503; 8.5232; 22.6161 90; 124.742; 90 | 4443.1 | Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E. Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol The Journal of Physical Chemistry A, 2003, 107, 11201 |
1507228 | CIF | C15 H10 O | C 1 2/c 1 | 28.0503; 8.5232; 22.6161 90; 124.742; 90 | 4443.1 | Overgaard, Jacob; Waller, Mark P.; Platts, James A.; Hibbs, David E. Influence of Crystal Effects on Molecular Charge Densities in a Study of 9-Ethynyl-9-fluorenol The Journal of Physical Chemistry A, 2003, 107, 11201 |
1507419 | CIF | C123.3 H53.3 Cl0.9 Co N5 Sc3 | C 1 2/m 1 | 25.124; 14.94; 19.533 90; 93.72; 90 | 7316.3 | Campanera, Josep M.; Bo, Carles; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M. Bonding within the Endohedral Fullerenes Sc3N@C78and Sc3N@C80as Determined by Density Functional Calculations and Reexamination of the Crystal Structure of {Sc3N@C78}·Co(OEP)}·1.5(C6H6)·0.3(CHCl3) The Journal of Physical Chemistry A, 2002, 106, 12356 |
1507420 | CIF | C8 H14 F6 N2 O8 S2 Sr | I b a m | 11.68; 20.5299; 8.0429 90; 90; 90 | 1928.6 | Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A, 2002, 106, 9612 |
1507421 | CIF | C8 H14 F6 N2 O8 S2 Sr | I b a m | 11.751; 20.78; 8.1345 90; 90; 90 | 1986.3 | Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A, 2002, 106, 9612 |
1507422 | CIF | C6 H12 F6 O8 S4 Sr | I 1 2/a 1 | 8.4221; 11.5766; 18.42 90; 93.263; 90 | 1793 | Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A, 2002, 106, 9612 |
1511825 | CIF | C8 H3.3333 N6 O2.6667 | P 1 21/c 1 | 5.59928; 24.2233; 19.9883 90; 91.9071; 90 | 2709.57 | Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity The Journal of Physical Chemistry A, 2013, 117, 3614 |
1511826 | CIF | C26 H25 N9 O2 | P n a 21 | 12.4315; 25.1447; 7.779 90; 90; 90 | 2431.61 | Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity The Journal of Physical Chemistry A, 2013, 117, 3614 |
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