Crystallography Open Database
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Result: there are 96 entries in the selection
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Searching journal of publication like 'Journal of Molecular Structure'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1513054 | CIF | C6 H13 Cl2 N O | P -1 | 7.022; 8.236; 8.684 63.397; 85.326; 85.478 | 447.1 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513055 | CIF | C7 H15 Cl2 N | P n m a | 7.078; 8.035; 17.775 90; 90; 90 | 1010.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513056 | CIF | C7 H3 Cl2 N | P n m a | 7.1481; 8.076; 18.627 90; 90; 90 | 1075.3 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513057 | CIF | C14 H20 Cl N O6 S | P b c a | 13.526; 15.045; 16.533 90; 90; 90 | 3364.4 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513058 | CIF | C15 H22 Cl N O6 S | P 21 21 21 | 8.598; 13.739; 14.788 90; 90; 90 | 1746.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513059 | CIF | C13 H18 Cl N O6 S | P -1 | 8.644; 9.085; 11.673 104.782; 104.882; 105.085 | 802.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513063 | CIF | C36 H39 N O | P 21 21 21 | 9.8714; 15.9402; 18.5446 90; 90; 90 | 2918 | Ivanova, Bojidarka; Spiteller, Michael Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study Journal of Molecular Structure, 2011, 1004, 303 |
| 1513075 | CIF | C14 H23 N4 O6 | P c a 21 | 10.466; 18.241; 8.265 90; 90; 90 | 1577.9 | Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure, 2012, 1016, 47 |
| 1513163 | CIF | C7 H6 O8 S | P -1 | 6.925; 6.967; 11.48 83.184; 74.285; 70.771 | 503.2 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1513164 | CIF | C21 H21 N3 O13 S2 | P 1 21/n 1 | 7.1585; 9.3512; 35.924 90; 90.216; 90 | 2404.8 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1513165 | CIF | C9 H12 N2 O7 S | P -1 | 8.128; 8.591; 9.713 64.322; 86.766; 81.477 | 604.5 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1520826 | CIF | H5 Na O8 P2 | P 1 21/c 1 | 8.464; 7.817; 10.337 90; 90.58; 90 | 683.893 | Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure, 2000, 516, 185-202 |
| 1520827 | CIF | D5 Na O8 P2 | P 1 21/c 1 | 8.495; 7.854; 10.352 90; 90.67; 90 | 690.635 | Baran, J.; Lis, T.; Drozd, M.; Ratajczak, H. Structure, phase transition and vibrational spectra of the Na H5 (P O4)2 and Na D5 (P O4)2 crystals Journal of Molecular Structure, 2000, 516, 185-202 |
| 1520876 | CIF | H8 Mg O9 Se2 | P -6 2 c | 9.434; 9.434; 10.492 90; 90; 120 | 808.687 | Boldt, K.; Engelen, B.; Panthoefer, M.; Mueller, H.; Unterderweide, K. Mg (H Se O3)2 . 3(H2 O) : crystal structure, rotational and orientational disorder of 'free' (H Se O3)(-) ions and low temperature phase transition Journal of Molecular Structure, 1999, 475, 35-41 |
| 1521678 | CIF | B5 H9 | P 41 | 10.201; 10.201; 9.996 90; 90; 90 | 1040.19 | Nordman, C.E. The crystal structure of B5 H9 below the 136.7 K phase transition Journal of Molecular Structure, 1999, 485, 299-303 |
| 1528524 | CIF | C4 H O4 Rb | P 1 21/c 1 | 4.1472; 15.8467; 8.0608 90; 96.25; 90 | 526.603 | Georgopoulos, S.L.; de Oliveira, L.F.C.; Diniz, R.; Rodrigues, B.L. Crystal structure and Raman spectra of rubidium hydrogen squarate Journal of Molecular Structure, 2005, 741, 61-66 |
| 1529238 | CIF HKL | C7 H8 N2 O2 S | P 1 21/c 1 | 8.8268; 12.044; 8.0998 90; 105.388; 90 | 830.2 | Golovnev, Nikolay; Molokeev, Maxim; Tarasova, Ludmila; Atuchin, Victor; Vladimirova, Natalya The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization Journal of Molecular Structure, 2014, 1068, 216 |
| 1529502 | CIF HKL | C14 H22 N2 O3 S | P 21 21 21 | 9.7454; 11.2225; 13.9171 90; 90; 90 | 1522.08 | N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy. Journal of Molecular Structure, 2015, 1102, 101-107 |
| 1531111 | CIF | C3 H18 Bi Br6 N9 | C 1 2/c 1 | 31.882; 8.934; 29.058 90; 92.72; 90 | 8267.38 | Bator, G.; Zaleski, J.; Zeegers-Huyskens, T.; Jakubas, R. Structure and phase transitions in guanidinium halogenobismuthates(III) Journal of Molecular Structure, 2001, 570, 61-74 |
| 1532422 | CIF | H6 Mg3 O12 S2 | P b c m | 7.177; 9.804; 12.775 90; 90; 90 | 898.891 | Yue Tao; Gao Shiyang; Yu Kaibei; Xia Shuping; Zhi Li-Xia Crystal growth and crystal structure of magnesium oxysulfate 2(Mg S O4) * (Mg (O H)2) * 2(H2 O) Journal of Molecular Structure, 2002, 616, 247-252 |
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