Crystallography Open Database
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Result: there are 13385 entries in the selection
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Searching year of publication is 2004
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1506822 | CIF | C16 F8 N4 | P b c a | 10.411; 13.338; 21.948 90; 90; 90 | 3047.7 | 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 |
| 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 |
| 1506824 | CIF | C33 H36 N3 O3.5 P0.5 Tb0.5 | P -1 | 12.049; 13.986; 18.529 96.74; 104.78; 90.23 | 2996.4 | 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 |
| 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 |
| 1506826 | CIF | C48 H59 N6 O7 Tb | P 1 21/c 1 | 15.4491; 23.7237; 15.08 90; 118.064; 90 | 4877.1 | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1506840 | CIF | C12 H52 Al2 N8 O21 P4 | P b c a | 17.6569; 15.4289; 25.5819 90; 90; 90 | 6969.2 | Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16) The Journal of Physical Chemistry B, 2004, 108, 20020 |
| 1506841 | CIF | C24 H116 Al7 Li3 N16 O64 P12 | I -4 3 m | 16.6607; 16.6607; 16.6607 90; 90; 90 | 4624.66 | Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga) The Journal of Physical Chemistry B, 2004, 108, 20011 |
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